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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2016,Vol.32>> Issue(10)>> 2555-2562     doi: 10.3866/PKU.WHXB201606281         中文摘要
High-Performance Thermogalvanic Cell Based on Organic Nanofluids
SUN Hao-Yu, PU Jin-Huan, TANG Gui-Hua
Key Laboratory of Thermal-fluid Science and Engineering of Ministry of Education, School of Energy and Power Engineering, Xi'an Jiaotong University, Xi'an 710049, P. R. China
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The thermoelectric performance of traditional thermogalvanic cells is relatively low and a more efficient conversion mechanism is required. In this paper, the distribution of glycerol/glycerin in an aqueous sodium chloride solution in a carbon nanotube (CNT) is investigated by molecular dynamics (MD) simulation. The distributions of ions, molecule net charge, and electrical potential of the system are markedly affected by temperature. We propose a novel nanofluid thermoelectric conversion method based on the CNT and glycerol/glycerin aqueous sodium chloride solution. The thermoelectric performance of the proposed system is much higher than that of most of current liquid thermogalvanic cells, and the application temperature range is also widened considerably. A preliminary thermal-to-electrical energy conversion experiment based on nanoporous carbon withmixtures of sodiumchloride and glycerol is also conducted to qualitatively verify the numerical results.



Keywords: Molecular dynamics   Thermogalvanic cell   Carbon nanotube   Low-temperature energy utilization   Thermoelectric conversion  
Received: 2016-05-13 Accepted: 2016-06-27 Publication Date (Web): 2016-06-28
Corresponding Authors: TANG Gui-Hua Email: ghtang@mail.xjtu.edu.cn

Fund: The project was supported by the National Natural Science Foundation of China (51576156).

Cite this article: SUN Hao-Yu, PU Jin-Huan, TANG Gui-Hua. High-Performance Thermogalvanic Cell Based on Organic Nanofluids[J]. Acta Phys. -Chim. Sin., 2016,32 (10): 2555-2562.    doi: 10.3866/PKU.WHXB201606281

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74. XU Gui-Yin, DING Bing, NIE Ping, LUO Hong-Jun, ZHANG Xiao-Gang.Preparation and Electrochemical Performance of Carbon Nanotubes/ Graphene Oxide/Sulfur Complex Cathode Material[J]. Acta Phys. -Chim. Sin., 2013,29(03): 546-552
75. WU Yong-Quan, SHEN Tong, LU Xiu-Ming, ZHANG Ning, LAI Li-Shan, GAO Shuai.Solidification of Liquid Fe with Embedded Homogeneous Solid Fe Nanoparticles from Molecular Dynamics Simulations[J]. Acta Phys. -Chim. Sin., 2013,29(02): 245-249
76. YANG Li-Jun, LIU Qian, YUAN Wen-Bin, YANG Sheng-Yong.Molecular Dynamics Simulations of Interactional Mechanism and Binding Energy Calculations between Kinase ABL and Small Molecules Binding at Myristoyl Pocket[J]. Acta Phys. -Chim. Sin., 2013,29(02): 423-430
77. ZHOU Yang, CHU You-Qun, LIU Wei-Ming, MA Chun-An.Nano-WO3 Modified Carbon Nanotube Supported Pt and Their Electrocatalytic Activity for Methanol Electro-Oxidation[J]. Acta Phys. -Chim. Sin., 2013,29(02): 287-292
78. BAI Shu, ZHOU Rong, LIU Fu-Feng.Rational Design of Affinity Ligand for the Oriented Immobilization of Trypsin[J]. Acta Phys. -Chim. Sin., 2013,29(02): 439-448
79. WANG Xiao-Juan, LI Zhi-Yi, LIU Zhi-Jun.Molecular Dynamics Simulations on Hydrolysis of Zinc Acetate in Supercritical Water[J]. Acta Phys. -Chim. Sin., 2013,29(01): 23-29
80. LI Li-Xiang, TAO Jing, GENG Xin, AN Bai-Gang.Preparation and Supercapacitor Performance of Nitrogen-Doped Carbon Nanotubes from Polyaniline Modification[J]. Acta Phys. -Chim. Sin., 2013,29(01): 111-116
81. GE Song, CHEN Min.Effects of Surface Charge and Electric Field on the Interfacial Thermal Resistance at Liquid/Solid Interfaces[J]. Acta Phys. -Chim. Sin., 2012,28(12): 2939-2943
82. DONG Xiao-Yan, DU Wen-Jie, LIU Fu-Feng.Molecular Dynamics Simulation and Binding Free Energy Calculation of the Conformational Transition of Amyloid Peptide 42 Inhibited by Peptide Inhibitors[J]. Acta Phys. -Chim. Sin., 2012,28(11): 2735-2744
83. ZHOU Ting-Ting, SHI Yi-Ding, HUANG Feng-Lei.Thermal Decomposition Mechanism of β-HMX under High Pressures via ReaxFF Reactive Molecular Dynamics Simulations[J]. Acta Phys. -Chim. Sin., 2012,28(11): 2605-2615
84. WANG Ding, TIAN Guo-Cai.Simulation Study of the Effect ofMethanol on the Structure and Properties of 1-Butyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid[J]. Acta Phys. -Chim. Sin., 2012,28(11): 2558-2566
85. LI Hong-Bo, ZHANG Jing, JIN He-Hua, LI Qing-Wen.Separation Techniques of Single-Walled Carbon Nanotubes with Single Electrical Type and Chirality[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2447-2455
86. HUANG Wen, ZHAO Jin, KANG Qi, XU Kaichen, YU Zhen, WANG Jian, MA Yan-Wen, HUANG Wei.Preparation of Three-Dimensional Carbon Microtube/Carbon Nanotube Composites and Their Application in Supercapacitor[J]. Acta Phys. -Chim. Sin., 2012,28(10): 2269-2275
87. AN Ting, CAO Hui-Qun, ZHAO Feng-Qi, REN Xiao-Ning, TIAN De-Yu, XU Si-Yu, GAO Hong-Xu, TAN Yi, XIAO Li-Bai.Preparation and Characterization of Ag/CNTs Nanocomposite and Its Effect on Thermal Decomposition of Cyclotrimethylene Trinitramine[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2202-2208
88. LUO Hong-Cheng, HUANG Bi-Chun, FU Ming-Li, WU Jun-Liang, YE Dai-Qi.SO2 Deactivation Mechanism of MnOx/MWCNTs Catalyst for Low-Temperature Selective Catalytic Reduction of NOx by Ammonia[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2175-2182
89. LUO Fang, GAO Jian, CHENG Yuan-Hua, CUI Wei, JI Ming-Juan.Interaction Mechanisms of Inhibitors of Glucoamylase by Molecular Dynamics Simulations and Free Energy Calculations[J]. Acta Phys. -Chim. Sin., 2012,28(09): 2191-2201
90. ZHANG Rong-Bin, LIANG Lei, ZENG Xian-Rong, SHANG Jin-Yan, WANG Tao, CAI Jian-Xin.Catalytic Properties of Ni /MWCNT and La-Promoted Ni /MWCNT for Methanation of Carbon Dioxide Reaction[J]. Acta Phys. -Chim. Sin., 2012,28(08): 1951-1956
91. WANG Yan-Hong, CHEN Yu-Juan, BAO Ling, LANG Xue-Mei, FAN Shuan-Shi.Molecular Dynamics Simulation of CH4 Hydrate Decomposition in the Presence of Poly(2-ethyl-2-oxazoline)[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1683-1690
92. TAN Fu-Rui, LI Hong-Bo, GUI Hui, ZHANG Jing, LI Ru, JIN He-Hua.Effects of Ultrasonic Dispersion on the Separation of Single-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1790-1796
93. XU Zhao-Ying, ZHAO Li-Ling, CAO Zan-Xia, WANG Ji-Hua.Effects of the Residue Mutations on the Segment of P53-DNA Binding Region Based on Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1665-1675
94. ZHANG Jin-Li, HE Zheng-Hua, HAN You, LI Wei, WU Jiang-Jie-Xing, GAN Zhong-Xue, GU Jun-Jie.Nucleation and Growth of Na2CO3 Clusters in Supercritical Water Using Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1691-1700
95. LAI Li-Shan, WU Yong-Quan, SHEN Tong, ZHANG Ning, GAO Shuai.Molecular Dynamics Simulation of Induced Solidification Process of Pure Liquid Fe by Al2O3 Nanoparticles[J]. Acta Phys. -Chim. Sin., 2012,28(06): 1347-1354
96. LÜ Yong-Jun, CHEN Min.Molecular Transport through Finite-Length Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1070-1076
97. YE Qing, ZHANG Yu, LI Ming, SHI Yao.Adsorption of Low Concentration CO2 by Modified Carbon Nanotubes under Ambient Temperature[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1223-1229
98. TANG Jing, ZENG Qiao, CHEN Zhen-Dong, HUANG Xiang-Qian.Electrochemical Indirect Measurement for the Study of Glutathione Adsorption on Multiwalled Carbon Nanotubes and Activated Carbon[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1269-1274
99. GAO Yu-Fei, MENG Qing-Yuan, ZHANG Lu, LIU Jia-Qiu, JING Yu-Hang.Molecular Dynamics Simulation of Thermal Transport Properties for Boron Nitride Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1077-1084
100. ZHANG Xia, ZHANG Qiang, ZHAO Dong-Xia.Quasi-Elastic Neutron Scattering Spectroscopy of the 1-Propanol/Water Solution by Molecular Dynamics Simulations[J]. Acta Phys. -Chim. Sin., 2012,28(05): 1037-1044
101. NIE Su-Lian, ZHAO Yan-Chun, FAN Jie-Wen, TIAN Jian-Niao, NING Zhen, LI Xiao-Xiao.Highly Active Pd-Co3O4/MWCNTs Catalysts for Methanol Electrocatalytic Oxidation[J]. Acta Phys. -Chim. Sin., 2012,28(04): 871-876
102. LI Hai-Lan, JIA Yu-Xiang, HU Yang-Dong.Molecular Dynamics Simulation of the Desalination of Sea Water by a Forward Osmosis Membrane Containing Charged Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2012,28(03): 573-577
103. JIN Yu, CHEN Hong-Yuan, CHEN Ming-Hai, LIU Ning, LI Qing-Wen.Carbon Nanotube/Polyaniline/Graphene Composite Paper and Its Electrochemical Capacitance Behaviors[J]. Acta Phys. -Chim. Sin., 2012,28(03): 609-614
104. ZHU Jian-Bo, XU You-Long, WANG Jie, WANG Jing-Ping.Electropolymerization and Characterization of Fast Charge-Discharge PPy/F-SWNTs Composite Materials[J]. Acta Phys. -Chim. Sin., 2012,28(02): 373-380
105. LIU Zhen, LIU Gou-Sheng, YU Jian-Guo.Effect of Primary Alkylamine Adsorption on Muscovite Hydrophobicity[J]. Acta Phys. -Chim. Sin., 2012,28(01): 201-207
106. YIN Shi-Bin, LUO Lin, JING Sheng-Yu, ZHU Qiang-Qiang, QIANG Ying-Huai.Effect of Intermittent Microwave Heating on the Performance of Catalysts for Oxygen Reduction Reaction[J]. Acta Phys. -Chim. Sin., 2012,28(01): 85-89
107. ZHANG Xia, ZHANG Qiang, ZHAO Dong-Xia.Hydrogen Bond Lifetime Definitions and the Relaxation Mechanism in Water Solutions[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2547-2552
108. WANG Xi-Wen, JIANG Fang-Ting, SUO Quan-Ling, FANG Yu-Zhu, LU Yong.Self-supporting Macroscopic Carbon/Ni-Fiber Hybrid Electrodes Prepared by Catalytic Chemical Vapor Deposition Using Various Carbonaceous Compounds and Their Capacitive Deionization Performance[J]. Acta Phys. -Chim. Sin., 2011,27(11): 2605-2612
109. GAO Yun-Yan, LI Hai-Xia, OU Zhi-Ze, HAO Ping, LI Yi, YANG Guo-Qiang.Enhancing the Catalytic Activity of Peroxidase by Adsorption onto Fe3O4 Magnetic Nanoparticle/Multiwalled Carbon Nanotube Composite Surfaces[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2469-2477
110. JIN Yi, WANG Yue, BIAN Fu-Yong, SHI Qiang, GE Mao-Fa, WANG Shu, ZHANG Xing-Kang, XU Si-Chuan.Three-Dimensional Structure of Dopamine 3-Subtype Receptor with the Active Site Residues for the Binding of Dopamine[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2432-2446
111. XUE Rong, YAN Jing-Wang, TIAN Ying, YI Bao-Lian.Lanthanum Doped Manganese Dioxide/Carbon Nanotube Composite Electrodes for Electrochemical Supercapacitors[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2340-2346
112. CUI Chao-Jie, QIAN Wei-Zhong, WEI Fei.Water-Assisted Growth of Carbon Nanotubes over Co/Mo/Al2O3 Catalyst[J]. Acta Phys. -Chim. Sin., 2011,27(10): 2462-2468
113. BAO Jian-Zhang, FENG Xin-Tian, YU Jian-Guo.GPU Triggered Revolution in Computational Chemistry[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2019-2026
114. NIE Ping, SHEN Lai-Fa, CHEN Lin, SU Xiao-Fei, ZHANG Xiao-Gang, LI Hong-Sen.Sol-Gel Synthesis and Electrochemical Performance of Porous LiMnPO4/MWCNT Composites[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2123-2128
115. LI Hong-Jian, LI An-Yang, TANG Hong, DOU Yu-Sheng.Molecular Dynamics Simulation of Effect of a Femtosecond Laser on the Photofragmentation Reaction Mechanism of C60[J]. Acta Phys. -Chim. Sin., 2011,27(09): 2072-2078
116. FANG Yu-Zhu, JIANG Fang-Ting, LU Yong.Electrocatalytic Performance of Self-Supporting CNTs/SMF-Ni Hybrid Electrodes for the Aerobic Oxidation of p-MT to p-MBA[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1854-1858
117. XU Ling, SHEN Xiao-Xu, XIAO Qiang, ZHONG Yi-Jun, YE Su-Fang, YE Xiang-Rong, ZHU Wei-Dong.Preparation, Characterization and Catalytic Properties of Pd/Fe3O4-MCNT Magnetically Recyclable Catalysts[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1956-1960
118. LIN Jian-Xin, WANG Guo-Hua, WANG Rong, LIN Bing-Yu, NI Jun, WEI Ke-Mei.Preparation and Characterization of Ru/CNTs-Al2O3 Catalyst for Ammonia Synthesis[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1961-1967
119. XU Pei-Jun, TANG Yuan-Yuan, ZHANG Jing, ZHANG Zhi-Bo, WANG Kun, SHAO Ying, SHEN Hu-Jun, MAO Ying-Chen.Molecular Dynamics Simulation of Organic Solvents Based on the Coarse-Grained Model[J]. Acta Phys. -Chim. Sin., 2011,27(08): 1839-1846
120. LI Miao-Miao, SHEN Rui-Qi, LI Feng-Sheng.Molecular Dynamics Simulation of Binding Energies, Mechanical Properties and Energetic Performance of the RDX/BAMO Propellant[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1379-1385
121. LIU Yun-Hong, GAO Ya-Jun, WANG Fen-Ying, ZHU Tie-Min, ZHAO Jian-Wei.Molecular Dynamics Simulation of the Influence of Crystal Orientation on the Formation Probability of Silver Monoatomic Chains during Stretching[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1341-1345
122. CONG Ye, QIN Yun, LI Xuan-Ke, DONG Zhi-Jun, YUAN Guan-Ming, CUI Zheng-Wei.Preparation and Visible Light Photocatalytic Activity of Titanium Dioxide Coated Multiwalled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1509-1515
123. CHEN Cong, LI Wei-Zhong, SONG Yong-Chen, WENG Lin-Dong.Structure and Kinetics of Hydrogen Bonds in Aqueous Glucose Solutions[J]. Acta Phys. -Chim. Sin., 2011,27(06): 1372-1378
124. LIU Zhen-Hai, SHANG Ya-Zhuo, HUANG Yong-Min, PENG Chang-Jun, LIU Hong-Lai.Disassembly of Polyelectrolyte/Surfactants Complex Induced by Macroions[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1135-1142
125. LIAO Rui-Jin, ZHU Meng-Zhao, ZHOU Xin, YANG Li-Jun, YAN Jia-Ming, SUN Cai-Xin.Molecular Dynamics Simulation of the Diffusion Behavior of Water Molecules in Oil and Cellulose Composite Media[J]. Acta Phys. -Chim. Sin., 2011,27(04): 815-824
126. LU Yue-Mei, GONG Qian-Ming, LU Fang-Ping, LIANG Ji, NIE Qing-Dong, ZHANG Xiu-Mei.Preparation of Sulfonated Carbon Nanotubes/Activated Carbon Composite Beads and Their Adsorption Capacity for Low Density Lipoprotein[J]. Acta Phys. -Chim. Sin., 2011,27(03): 683-688
127. HU Song-Qing, YU Li-Jun, YAN You-Guo, ZHANG Jun, REN Zhen-Jia, TI Yang.Experimental and Theoretical Study of the Synergistic Inhibitive Effect of SDBS and HA[J]. Acta Phys. -Chim. Sin., 2011,27(02): 275-280
128. LI Li-Xiang, LIU Yong-Chang, GENG Xin, AN Bai-Gang.Synthesis and Electrochemical Performance of Nitrogen-Doped Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2011,27(02): 443-448
129. JIA Yu-Xiang, LI Yan, HU Yang-Dong.Behavior of Carbon Nanotube Membranes as Channels of Salt and Water in Forward Osmosis Process[J]. Acta Phys. -Chim. Sin., 2011,27(01): 228-232
130. LIU Xiao-Yu, LI Chun, TIAN Wen-Yu, CHEN Tao, WANG Lu-Hua, ZHENG Zhong, ZHU Jian-Bo, SUN Mao, LIU Chun-Li.Molecular Dynamics Modeling of Uranyl Ion Adsorption onto the Basal Surfaces of Kaolinite[J]. Acta Phys. -Chim. Sin., 2011,27(01): 59-64
131. SUN Hao, JIANG Yong-Jun, YU Qing-Sen, GAO Hui.Molecular Dynamics Simulations on the Role of Structural Mg2+ Ions in Phosphoryl Transfer Catalyzed by GSK-3β[J]. Acta Phys. -Chim. Sin., 2011,27(01): 207-212
132. HAO Ping, GAO Yun-Yan, OU Zhi-Ze, LI Yi, WANG Zhong-Li, WANG Xue-Song.Preparation of Aminopyridine Grafted Carbon Nanotube and Its Interaction with Horseradish Peroxidase[J]. Acta Phys. -Chim. Sin., 2011,27(01): 233-240
133. CHENG Ying-Wu, YANG Zhi, WEI Hao, WANG Yan-Yan, WEI Liang-Ming, ZHANG Ya-Fei.Progress in Carbon Nanotube Gas Sensor Research[J]. Acta Phys. -Chim. Sin., 2010,26(12): 3127-3142
134. QIAO Gui-Min, REN Zhen-Jia, ZHANG Jun, HU Song-Qing, YAN You-Guo, TI Yang.Molecular Dynamics Simulation of Corrosive Medium Diffusion in Corrosion Inhibitor Membrane[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3041-3046
135. ZHOU Jin-Mei, LI Hai-Yan, LIN Guo-Dong, ZHANG Hong-Bin.Purification of Multiwalled Carbon Nanotubes and Characterization of Their Oxygen-Containing Surface Groups[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3080-3086
136. LIU Yan-Yan, CHEN Pan-Ke, LUO Jian-Hui, ZHOU Ge, JIANG Bo.Molecular Simulation of Dilute Polyacrylamide Solutions[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2907-2914
137. XIONG Zhen-Hu, WANG Lu, ZHOU Jian-Guo, LIU Jian-Ming.Thermodynamics and Kinetics of Adsorption of Diclofenac on Magnetic Multiwalled Carbon Nanotubes in an Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2010,26(11): 2890-2898
138. KE Yan-Rong, JIN Hong-Wei, LIU Zhen-Ming, ZHANG Liang-Ren.Homology Modeling and Structure Validation of the Adenosine A1 Receptor[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2833-2839
139. WEN Xiao-Nan, ZHANG Jing, GU Wen-Xiu, JIN He-Hua, LI Hong-Bo, LI Qing-Wen.Effects of NaCl on the Separation of Single-Walled Carbon Nanotubes by Agarose Gel Electrophoresis[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2757-2762
140. ZHU Su-Hua, YAN Liu-Ming, JI Xiao-Bo, SHAO Chang-Le, LU Wen-Cong.Electroosmotic Drag of Water in Hydrated Potassium Perfluorosulfonated Polymer Membrane in External Electric Fields[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2659-2665
141. LIU Fu-Feng, JI Luo, DONG Xiao-Yan.Effects ofMolecular Volume and Fractional Polar Surface Area of Osmolytes on the Thermal Stability of Chymotrypsin Inhibitor 2[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2813-2820
142. WU Li-Xia, YU Feng, LIU Jing, DAI Jing-Hua, ZHOU Xiao-Guo, LIU Shi-Lin.Ab initioMolecular Dynamics Investigation on the Production Channels for the Reaction of O- with CH3F[J]. Acta Phys. -Chim. Sin., 2010,26(09): 2331-2336
143. ZHAO Yan-Chun, LAN Huang-Xian, DENG Bin-Bin, TIAN Jian-Niao, YANG Xiu-Lin, WANG Feng-Yang.Electrocatalytic Oxidation of Methanol with Poly Functionalized Multiwalled Carbon Nanotubes Supported Pt Catalysts[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2255-2260
144. LIU Fu-Feng, DONG Xiao-Yan, SUN Yan.Molecular Dynamics Simulation of the Conformational Transition of Amyloid Peptide 42 Inhibited by Trehalose[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1643-1650
145. DING Yuan-Fa, ZHANG Yue, ZHANG Da-Hai, LI Zhong-Ping.Atomic Charge Transfer and Ensemble Selection inMolecular Dynamics Simulation of Vitreous Silica[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1651-1656
146. HE Zheng-Wen, JIANG Qi, YANG Rong, QI Peng, ZHAO Fei, YUAN Hua, ZHAO Yong.Preparation of Carbon Nanotube Chemically Modified Electrode via Growing In situ Method by the Direct Current Electrochemical Deposition Nickel Catalyst[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1214-1218
147. ZHANG Jun, YU Wei-Zhao, YAN You-Guo, YU Li-Jun, REN Zhen-Jia.Molecular Dynamics Simulation of the Adsorption Behavior of Imidazoline Corrosion Inhibitors on a Fe(001) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1385-1390
148. XIE Li-Ming, YU Xue-Chun, FENG Chao-Qun, ZHANG Jin, LIU Zhong-Fan.Raman Characterization of a Highly Folded Individual Serpentine (7,5) Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26(04): 801-804
149. GAN Lin, LIU Song, LI Dan-Na, GU Hang, CAO Yang, SHEN Qian, WANG Zhen-Xing, WANG Qing, GUO Xue-Feng.Facile Fabrication of the Crossed Nanotube-Graphene Junctions[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1151-1156
150. WANG Luo-Xin, XU Jie, ZOU Han-Tao, YI Chang-Hai.Effect of Chirality and Size on the Thermal Decomposition of Nitromethane Confined inside Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26(03): 721-726
151. WANG Hong-Jie, HU Fan, LI Shen-Min.Mixed Quantum-Classical Dynamics Simulations on the Vibrational Spectral Probe in a SWCT Confined Solvent[J]. Acta Phys. -Chim. Sin., 2010,26(03): 714-720
152. DING Wei, LIU Guo-Yu, YU Tao, QU Guang-Miao, CHENG Jie-Cheng, WU Jun-Zheng.Molecular Dynamics Simulations and Free Energy Perturbation Calculations of Alkyl Aryl Sulfonate[J]. Acta Phys. -Chim. Sin., 2010,26(03): 727-734
153. WU Yan-Ni, LIAO Shi-Jun.Shortened Carbon Nanotubes as Supports to Prepare High-Performance Pt/SCNT and PtRu/SCNT Catalysts for Fuel Cells[J]. Acta Phys. -Chim. Sin., 2010,26(03): 669-674
154. WU Ying-Lei, YANG Jun, WANG Jiu-Lin, YIN Li-Chao, NULI Yan-Na.Composite Cathode Structure and Binder for High Performance Lithium-Sulfur Battery[J]. Acta Phys. -Chim. Sin., 2010,26(02): 283-290
155. XIAO Hong-Yan, ZHEN Zhen, SUN Huan-Quan, CAO Xu-Long, LI Zhen-Quan, SONG Xin-Wang, CUI Xiao-Hong, LIU Xin-Hou.Molecular Dynamics Simulation of Anionic Surfactant at the Water/n-Alkane Interface[J]. Acta Phys. -Chim. Sin., 2010,26(02): 422-428
156. ZANG Yang, HAO Xiao-Gang, WANG Zhong-De, ZHANG Zhong-Lin, LIU Shi-Bin.Copolymerization and Capacitive Performance of Composite Carbon Nanotubes/Polyaniline/Nickel Hexacyanoferrate Films[J]. Acta Phys. -Chim. Sin., 2010,26(02): 291-298
157. WANG Luo-Xin, YI Chang-Hai, ZOU Han-Tao, XU Jie, XU Wei-Lin.cis-trans Isomerization of Azobenzene Confined inside an Armchair (8,8) Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26(01): 149-154
158. LI Bo, LIU Ming, HU Wen-Xiang.Molecular Docking and Molecular Dynamics Simulations of Fentanyl Analogs Binding to μ-Opioid Receptors[J]. Acta Phys. -Chim. Sin., 2010,26(01): 206-214
159. XIE Hui, LIU Chao.Effects of Surface Wettability on Bubbles in Nanochannels[J]. Acta Phys. -Chim. Sin., 2009,25(12): 2537-2542
160. FU Qing-Bin, GAO Bo, SU Ling-Hao, YUAN Chang-Zhou, LU Xiang-Jun, ZHANG Xiao-Gang.Preparation of Polypyrrole/Benzenesulfonic Functionalized Multi-Walled Carbon Nanotubes Induced by Hydrogen Bonding and Their Electrochemical Behavior[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2199-2204
161. LI Zhen-Hua, JIANG Yuan, ZHAO Pei, SHANG Xue-Fu, YANG Hui, WANG Miao.Synthesis of Single-Walled Carbon Nanotube Films with Large Area and High Purity by Arc-Discharge[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2395-2398
162. CAO Yong, JIAO Qing-Ze, ZHAO Yun.Synthesis of N-doped and Undoped Carbon Nanotubes on Fe/MgO Catalysts[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2380-2384
163. ZHENG Wei-Ling, XIAO Tan, ZHU Meng-Qi, WU Ping.Preparation and Dispersivity of Multiwalled Carbon Nanotubes Coated by Poly(phenylacetylene)[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2373-2379
164. GAO Ting-Hong, LIU Rang-Su, ZHOU Li-Li, TIAN Ze-An, XIE Quan.Formation Properties of Cluster Structures during the Rapid Solidification of Liquid Ca7Mg3 Alloy[J]. Acta Phys. -Chim. Sin., 2009,25(10): 2093-2100
165. ZHAO Jian-Wei, WANG Fen-Ying, JIANG Lu-Yun, YIN Xing, LIU Yun-Hong.Breaking Behavior of a Bicrystal Copper Nanowire Studied Using a Fourier Transformation Method[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1835-1840
166. LU Yue-Mei, GONG Qian-Ming, LIANG Ji.Preparation of Carbon Nanotubes/Activated Carbon Composite Microspheres and Their Application to Adsorption of VB12[J]. Acta Phys. -Chim. Sin., 2009,25(08): 1697-1702
167. FU Yi-Zheng, LIU Ya-Qing, LAN Yan-Hua.Molecular Dynamics Simulation on Compatibility of Hydroxyl-Terminated Polybutadiene/Plasticizer Blends[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1267-1272
168. TAO Chang-Gui, FENG Hai-Jun, ZHOU Jian, LV Ling-Hong, LU Xiao-Hua.Molecular Simulation of Oxygen Adsorption and Diffusion in Polypropylene[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1373-1378
169. ZHAO Jian-Wei, LIU Hong-Mei, NI Wen-Bin, GUO Yan, YIN Xing.Electron Transfer Studied at theMolecular Level[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1472-1480
170. LV Wen, LV Wei, NIU Yan, LEI Xiao-Ping.HomologyModeling andMolecular Docking on Muscarinic M1 Receptor[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1259-1266
171. WU Bin, BAI Lu, GONG Qian-Ming, LIANG Ji.Effect of Non-Ionic Surfactants on the Dispersion of Multiwalled Carbon Nanotubes at High Loading in Ethanol[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1065-1069
172. NIU Ji-Nan, QIANG Ying-Huai.Molecular Dynamics Simulation on Structure of Water Molecules in a Kaolinite-Water System[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1167-1172
173. SONG Qi-Sheng, GUO Xin-Li, YUAN Shi-Ling, LIU Cheng-Bu.Molecular Dynamics Simulation of Sodium Dodecyl Benzene Sulfonate Aggregation on Silica Surface[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1053-1058
174. CAO You-Ming, WANG Zhi-Yong, SHI Zu-Jin, GU Zhen-Nan.Preparation and Catalytic Properties of SWNTs-Supported Pd Catalyst[J]. Acta Phys. -Chim. Sin., 2009,25(05): 825-828
175. XIE Hui, LIU Chao, LIU Bin-Wu.Molecular Dynamics Simulation of Gas Mixture Flow in Nanochannel[J]. Acta Phys. -Chim. Sin., 2009,25(05): 994-998
176. SUN Hao, JIANG Yong-Jun, YU Qing-Sen, ZOU Jian-Wei.Molecular Dynamics Simulation of Significant Roles of Structural Water Molecules in Glycogen Synthase Kinase-3β[J]. Acta Phys. -Chim. Sin., 2009,25(04): 635-639
177. WU Xiao-Min, ZU Yuan-Gang, YANG Zhi-Wei, FU Yu-Jie, ZHOU Li-Jun, YANG Gang.Temperature-Controlled Molecular Dynamics Studies on the Folding Mechanism of the Tubulin Active Peptides[J]. Acta Phys. -Chim. Sin., 2009,25(04): 773-782
178. CHEN Xin-Yuan, LV Yang, LI Shen-Min.Molecular Dynamics Simulations on the Stability of (3+1) Mixed-Type Hybrid G-quadruplex in Human Telomere[J]. Acta Phys. -Chim. Sin., 2009,25(04): 783-791
179. CUI Wei, ZHANG Huai, JI Ming-Juan.Molecular Dynamics Simulations and Free Energy Calculations of a Novel Series of Protein Tyrosine Phosphatase 1B Difluoromethylenephosphonic Acid Inhibitors[J]. Acta Phys. -Chim. Sin., 2009,25(04): 668-676
180. CAI Kai-Cong, WANG Jian-Ping.Molecular Dynamical Structures of Glycolaldehyde[J]. Acta Phys. -Chim. Sin., 2009,25(04): 677-683
181. WAN Li-Hua, YA Ke-Feng, LI Xiao-Sen, FAN Shuan-Shi.Molecular Dynamics Simulation of Methane Hydrate Dissociation Process in the Presence of Thermodynamic Inhibitor[J]. Acta Phys. -Chim. Sin., 2009,25(03): 486-494
182. HOU Ji-Xuan, SI Li-Ming.Optimization Theory for Neighbor List Algorithmin Fluid System Simulation[J]. Acta Phys. -Chim. Sin., 2009,25(03): 430-434
183. ZHAO Yong-Shan, ZHENG Qing-Chuan, ZHANG Hong-Xing, CHU Hui-Ying, SUN Chia-Chung.Homology Modeling of Human Serine Racemase and Its Molecular Docking with Peptide Inhibitors[J]. Acta Phys. -Chim. Sin., 2009,25(03): 417-422
184. CHEN Cong, LI Wei-Zhong.Molecular Dynamics Simulation of Hydrogen Bonding Characteristics in Aqueous Glycerol Solutions[J]. Acta Phys. -Chim. Sin., 2009,25(03): 507-512
185. MA Ruo-Biao, FU Yan-Bao, MA Xiao-Hua.Preparation and Electrochemical Performance of Tin-Dioxide Filled Multi-Walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2009,25(03): 441-445
186. PAN Guo-Xiang; NI Zhe-Ming; WANG Fang; WANG Jian-Guo; LI Xiao-Nian.Molecular Dynamics Simulation on Structure, Hydrogen-Bond and Hydration Properties of Diflunisal Intercalated Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2009,25(02): 223-228
187. XI Hai-Tao; GAO Ya-Jun; SUN Xiao-Qiang; YIN Kai-Liang; CHEN Cheng-Lung.Binding Energy of the Electron Acceptor Cyclobis (Paraquat-Phenylene) Tetracationic Cyclophane and Electron Donating Phenyl Ether Derivatives[J]. Acta Phys. -Chim. Sin., 2009,25(02): 377-381
188. DOU Wen-Ling; XIN Xia; XU Gui-Ying.Dispersion of Carbon Nanotubes by Amphiphilic Molecules[J]. Acta Phys. -Chim. Sin., 2009,25(02): 382-388
189. LI Xiang-Fu; CHEN Hong-Shan; MENG Fan-Shun; LIU Bai-Xing.Melting Behavior of (AgI)n Clusters by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2009,25(01): 103-106
190. LI Zhen-Quan; GUO Xin-Li; WANG Hong-Yan; LI Qing-Hua; YUAN Shi-Ling; XU Gui-Ying; LIU Cheng-Bu.Molecular Dynamics Simulation of Anionic Surfactant Aggregation at the Oil/Water Interface[J]. Acta Phys. -Chim. Sin., 2009,25(01): 6-12
191. FU Yi-Zheng; LIU Ya-Qing; MEI Lin-Yu; LAN Yan-Hua.Molecular Dynamics Simulation on Binding Energies and Mechanical Properties of HTPB and Different Crystal Faces of Al[J]. Acta Phys. -Chim. Sin., 2009,25(01): 187-190
192. LI Jun, FENG Jie, LI Wen-Ying, CHANG Hai-Zhou, XIE Ke-Chang.Determining Influences of the Aggregative State of Deoxidized Coal on Its Extraction by Molecular Mechanics and Molecular Dynamics Analysis[J]. Acta Phys. -Chim. Sin., 2008,24(12): 2297-2303
193. ZHU Yu-Zhen; WANG Sheng; WEI Xian-Long; DING Li; ZHANG Zhi-Yong; LIANG Xue-Lei; CHEN Qing; PENG Lian-Mao.Frequency Response of SWCNT Field-Effect Transistors with MWCNT Interconnects[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2122-2127
194. CHEN Ying; WANG Xiu-Ying; ZHAO Jun-Qing.Molecular Dynamics Simulation on Melting of Metal Cluster with Small Size[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2042-2046
195. YANG Zhen; YANG Xiao-Ning; XU Zhi-Jun.Molecular Dynamics Simulation of Structure and Dynamics Properties of Water Near an Au Nanoparticle[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2047-2052
196. CHEN Xi-Liang; MA Ming-Wang; YANG Xiao-Min; YANG Kang; JI Te; WU Sheng-Wei; ZHU Zhi-Yong.Electrical and Optical Properties of MWNTs/HDPE Composites in THz Region[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1969-1974
197. ZHANG Wei; CUI Xiao-Li; JIANG Zhi-Yu.Effect of Composite Modes on Photoelectrochemical Properties of MWCNTs/TiO2 Nanocomposite Films[J]. Acta Phys. -Chim. Sin., 2008,24(11): 1975-1980
198. YANG Xiao-Feng; QIN Zhang-Feng; WANG Jian-Guo.A Random Walk Model for Molecular Anisotropic Diffusion in Siliceous β-Zeolites[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2128-2132
199. HU Jian-Ping; KE Guo-Tao; CHANG Shan; CHEN Wei-Zu; WANG Cun-Xin.Conformational Change of HIV-1 Viral DNA after Binding with Integrase[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1803-1810
200. LEE Shih-Fong, CHANG Yung-Ping, LEE Li-Ying.Enhancement of Field Emission Characteristics for Multi-Walled Carbon Nanotubes Treated with a Mixed Solution of Chromic Trioxide and Nitric Acid[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1411-1416
201. ZHANG Xu-Zhi; JIAO Kui.Single-Walled Carbon Nanotubes and RoomTemperature Ionic Liquid Composite Film Modified Electrode[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1439-1444
202. MAO Rong-Rong; LV Yang; ZHOU Li-Chuan; LI Qin-Ning; LI Shen-Min.Molecular Dynamics Simulation of the Vibrational Energy Relaxation of I2 in Nano-confined Argon Solution[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1451-1458
203. SHEN Qiu-Chan; LIANG Wan-Chun; HU Xing-Bang; LI Hao-Ran.Molecular Dynamics Simulation for Formamide Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1169-1174
204. ZHANG Jun; ZHAO Wei-Min; GUO Wen-Yue; WANG Yong; LI Zhong-Pu.Theoretical Evaluation of Corrosion Inhibition Performance of Benzimidazole Corrosion Inhibitors[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1239-1244
205. CAO Ling-Chao; LIU Yun-Qi; WANG Yu; WEI Da-Cheng; FU Lei; HU Ping-An; ZHANG Hong-Liang; HUANG Li-Ping; YU Gui.Wet Purification of Aligned Carbon Nanotube Arrays and Its Impact on the Morphology of the Carbon Nanotube Arrays[J]. Acta Phys. -Chim. Sin., 2008,24(06): 951-954
206. CUI Bao-Qiu; GONG Li-Dong; ZHAO Dong-Xia.Molecular Dynamics Simulation of Microperoxidase in Aqueous Solution in Terms of the ABEEM/MM Method[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1035-1040
207. DING Yuan-Fa; ZHANG Yue; ZHANG Fan-Wei; ZHANG Da-Hai; LI Zhong-Ping.Interatomic Potentials of Silica Glass for Molecular Dynamics Simulation at High Temperature[J]. Acta Phys. -Chim. Sin., 2008,24(05): 788-792
208. GENG Chun-Yu; DING Li-Ying; HAN Qing-Zhen; WEN Hao.Influence of Gas Molecule on Stability of Methane Hydrate[J]. Acta Phys. -Chim. Sin., 2008,24(04): 595-600
209. CHEN Dai-Wu; XIE Qing-Ji; JIANG Xue-Qin; YAO Shou-Zhuo.Interactions of Quercetin with Casein and Bovine Serum Albumin as well as Effects of Coexisting Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2008,24(03): 379-387
210. ZHANG Rong; TAN Zai-You; ZHENG Dun-Sheng; LUO San-Lai; LI Hao-Ran.Molecular Dynamics Simulations on the Special System of TFE Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2008,24(03): 428-432
211. CHEN Yu-Ting; ZHANG Hai-Yan; ZHANG Guo-Qing; CHEN Yi-Ming; ZHU Qing-Feng.Influence of Addition of Carbon Nanotubes in the Hydrogen Storage Alloy Electrode on the Performance of SC High Power Batteries[J]. Acta Phys. -Chim. Sin., 2008,24(03): 527-532
212. ZHI Shao-Feng; ZHANG Zhen-Hua; QIU Ming; PENG Jing-Cui.Electronic Velocity and Effective Mass of the Single-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2008,24(02): 275-280
213. YAN Hui; YUAN Shi-Ling; LIU Cheng-Bu.Radical Chain Reaction of Alkene Molecule on H-terminated Si(100)-2×1 Surface[J]. Acta Phys. -Chim. Sin., 2008,24(01): 8-12
214. WU Yu-Cheng; LIU Xiao-Lu; YE Min; XIE Ting; HUANG Xin-Min.Preparation and Properties of Carbon Nanotube-TiO2 Nanocomposites[J]. Acta Phys. -Chim. Sin., 2008,24(01): 97-102
215. XU Xing-Zhong; YANG Jian-Feng; LI Xiao-Nian; YAN Xin-Huan.Hydrogenation of o-chloronitrobenzene over CNTs Supported Pt Catalyst Obtained by Laser Vaporization of Bulk Metal[J]. Acta Phys. -Chim. Sin., 2008,24(01): 121-126
216. YE Chao; GONG Qian-Ming; LU Fang-Ping; LIANG Ji.Adsorption of Middle Molecular Weight Toxins on Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1321-1324
217. QIU Han-Xun; WANG Zhi-Yong; SHI Zu-Jin; GU Zhen-Nan; QIU Jie-Shan.Synthesis and Infrared Spectroscopy Characterization of Ferrocene-filled Double-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1451-1453
218. LI Guo-Hua; TIAN Wei; TANG Jun-Yan; MA Chun-An.Preparation and Electrocatalytic Property for Methanol Oxidation of WC/CNT Nanocomposite[J]. Acta Phys. -Chim. Sin., 2007,23(09): 1370-1374
219. FU Jian-Liang; ZHANG Xing-Wang; LEI Le-Cheng.Fe-modified Multi-walled Carbon Nanotube Electrode for Production of Hydrogen Peroxide[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1157-1162
220. CHEN Xin; ZHANG Yi-Li; SU Yu-Hua; MENG Wen-Hua; XIE Qing-Ji; YAO Shou-Zhuo.EQCM Studies on Enzymatic Specific Activities of Glucose Oxidase Adsorbed on Au-electroplated and Carbon Nanotubes-modified Au Electrodes[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1201-1206
221. LI Shu; LIU Lei; CAO Zhen; WANG Ji-Qiang; YAN Tian-Ying.Molecular Dynamics Simulation on a Eutectic Systemof LiTFSI/Urea[J]. Acta Phys. -Chim. Sin., 2007,23(07): 983-986
222. ZHENG Hai-Tao; LI Yong-Liang; LIANG Jian-Ying; SHEN Pei-Kang.Methanol Oxidation on Pd-based Electrocatalysts[J]. Acta Phys. -Chim. Sin., 2007,23(07): 993-996
223. Yuan Jian-Hui; Cheng Yu-Min.Effects of the Grafted Carboxyl on the Elastic Properties of Single-walled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(06): 889-894
224. WANG Rui; XU Hua-Ming; LI Dan; LIANG Ji.Growth of Single-walled Carbon Nanotubes on the Given Locations for AFM Tips[J]. Acta Phys. -Chim. Sin., 2007,23(04): 565-568
225. PENG Chuan-Xiao; WANG Li; ZHANG Yan-Ning.Amorphization of Ni Nanowires Induced by Strain Rate[J]. Acta Phys. -Chim. Sin., 2007,23(04): 517-520
226. ZHONG Qi-Ling;ZHANG Bing;DING Yue-Min;RAO Gui-Shi;WANG Guo-Fu;JIANG Yu-Xiong;REN Bin;TIAN Zhong-Qun.Microwave Radiation-Assisted Synthesis of Pt-CNTs[J]. Acta Phys. -Chim. Sin., 2007,23(03): 429-432
227. YANG Min-Hao;LIANG Tao;PENG Yu-Cai;CHEN Qing.Synthesis and Characterization of a Nanocomplex of ZnO Nanoparticles Attached to Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2007,23(02): 145-151
228. LÜ Ya-Fen;YIN Ya-Jing;WU Ping;CAI Chen-Xin.Direct Electrochemistry and Bioelectrocatalysis of Myoglobin at a Carbon Nanotube-Modified Electrode[J]. Acta Phys. -Chim. Sin., 2007,23(01): 5-11
229. QIU Kai-Dong;LI Wei-Bin.Adsorption of Hexavalent Chromium Ions on Multi-wall Carbon Nanotubes in Aqueous Solution[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1542-1546
230. WANG Hai-Long;WANG Xiu-Xi;WANG Yu;LIANG Hai-Yi .Molecular Dynamics Simulations of Low Index Surfaces Melting Behaviors for Metal Cu[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1367-1371
231. LI Rui-Fang;SHANG Zhen-Feng;XU Xiu-Fang;WANG Gui-Chang .Theoretical Studies on the Growth Mechanism of Armchair Single-walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1388-1392
232. CHU Dao-Bao;YIN Xiao-Juan;FENG De-Xiang;LIN Hua-Shui;TIAN Zhao-Wu.Electrocatalytic Oxidation of Ethanol on Pt/nanoTiO2-CNT Complex Catalysts[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1238-1242
233. BIAN Cheng-Xiang;XU Xue-Cheng;YU Wei;CHEN Yi-Wei;CHENG Rong-Ming;SHI Yan;LI Xiang-Mei;JIN Sheng-Song.Study on Conductive Mechanism of Composites―Sulfonated Polyphenylacetylene / Multiwalled Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1185-1190
234. ZHOU Zhen;YAN Tian-Ying;GAO Xue-Ping.Simulation and Design for Energy Storage Materials[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1168-1174
235. ZHANG Hua;CHEN Xiao-Hua;ZHANG Zhen-Hua;QIU Ming.Effect of Grafted Hydroxyl on the Electronic Structure of Finite-length Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1101-1105
236. NA Ping;ZHANG Fan;LI Yan-Ni.Molecular Dynamics Simulation of Na-montmorillonite and Na/Mg-montmorillonite Hydrates[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1137-1142
237. YE Ya-Jing;ZHANG Li-Tong;CHENG Lai-Fei;XU Yong-Dong.Structure Characteristic of Amorphous BCN System by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2006,22(07): 878-882
238. HOU Huai-Yu;CHEN Guo-Liang;CHEN Guang.Molecular Dynamics Simulation of the Structure Transformation before and after Ni Melting[J]. Acta Phys. -Chim. Sin., 2006,22(07): 771-776
239. ZHOU Long-Mei;LIU Hong-Ying; LI Feng-Sheng.Y2O3 Nanoparticle/Carbon Nanotube Composite: Preparation and Catalytic Performance for Decomposition of Ammonium Perchlorate[J]. Acta Phys. -Chim. Sin., 2006,22(05): 627-630
240. YI Shuang-Ping;ZHANG Hai-Yan;PEI Lei;HU Shou-Le;ZENG Guo-Xun;CHEN Jin.Effect of CNTs Treated at Different Temperatures in Nitrogen Ambient on the Electrochemical Properties of CNTs-LaNi5 Electrodes[J]. Acta Phys. -Chim. Sin., 2006,22(04): 436-440
241. CHU Dao-Bao; ZHANG Li-Yan; ZHANG Jin-Hua; ZHANG Xiu-Mei; YIN Xiao-Juan.Heterogeneous Electrocatalytic Reduction of Furfural on Nanocrystalline TiO2-CNT Complex Film Electrode in DMF Solution[J]. Acta Phys. -Chim. Sin., 2006,22(03): 373-377
242. LI Zhi; GONG Qian-Ming; LIANG Ji; HUANG Qi-Zhong; HUANG Bai-Yun.Study on Oxidation Properties of New ACNT/C Nanocomposites[J]. Acta Phys. -Chim. Sin., 2006,22(03): 316-321
243. ZHANG Zeng-Fu; LUO Guo-Hua; FAN Zhuang-Jun; XIANG Rong; ZHOU Li; WEI Fei.Complex Permittivity and Permeability Spectra of Different Kinds of Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(03): 296-300
244. CHEN Yu; TANG Ya-wen; Kong Ling-yong; LIU Chang-peng; XING Wei; LU Tianhong.Effect of Surface Modification Extent of Carbon Nanotubes on Electrocatalytic Performance of Carbon Nanotubes Supported Pt catalyst[J]. Acta Phys. -Chim. Sin., 2006,22(01): 119-123
245. JIANG Qi; LU Xiao-ying; ZHAO Yong; ZHU Xiao-tong; CAI Yu-dong; QIAN Lan.Effects of Activation Conditions on the Specific Surface Area of Activated Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2006,22(01): 43-47
246. ZHANG Shu-guang; SHI Wen-yan; LEI Wu; XIA Ming-zhu; WANG Feng-yun.Molecular Dynamics Simulation of Interaction between Calcite Crystal and Water-soluble Polymers[J]. Acta Phys. -Chim. Sin., 2005,21(11): 1198-1204
247. LIU Chun-li; LI Chun-hua; CHEN Wei-zu; WANG Cun-xin.Study on Interaction between HIV-1 Integrase and Its Dicaffeoyl Inhibitors through Molecular Modeling Approach[J]. Acta Phys. -Chim. Sin., 2005,21(11): 1229-1234
248. LI Juan; FANG Zheng-ping; WANG Jian-guo; GU Aijuan; TONG Li-fang; LIU Fu.Microstructure Transformation of Multi-walled Carbon Nanotubes during Diamine Grafting Process[J]. Acta Phys. -Chim. Sin., 2005,21(11): 1244-1248
249. XU Bin; WU Feng; CHEN Ren-jie; CHEN Shi; WANG Guo-qing.Capacitance Characteristics of Carbon Nanotubes in Room Temperature Molten Salt Electrolyte[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1164-1168
250. ZHOU Xiao-long; CHAI Yang; LI Ping-jian; PAN Guang-hu; SUN Hui; SHEN Ziyong; ZHANG Qi-feng; WU Jin-lei.Fabrication of Nitrogen-doped Multi-walled Carbon Nanotube and Their Field Effect Transistor Properties[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1127-1131
251. WU Xiao-ping; LIU Zhi-ping; WANG Wen-chuan.Molecular Dynamics Simulation of Gas Solubility in Room Temperature Ionic Liquids[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1138-1142
252. CHEN Can-hui; LI Hong; ZHU Wei; ZHANG Quan-xin.The Electrochemical Behavior of Ferrocene and Its Complex with DNA[J]. Acta Phys. -Chim. Sin., 2005,21(10): 1067-1072
253. WU Xiao-ping; LIU Zhi-ping.Computer Simulation Study of the Mixtures of Room Temperature Ionic Liquid [bmim][BF4] and Water[J]. Acta Phys. -Chim. Sin., 2005,21(09): 1036-1041
254. FANG Mei-juan; LUO Shu-na; WANG He-qing; LIU Wan-yun; ZHAO Yu-fen.The Effect of Phosphoryl Oxygen on the Intermolecular Action of Alanine and Lysozyme[J]. Acta Phys. -Chim. Sin., 2005,21(09): 1042-1045
255. HUANG Yu-Cheng; HU Ying-Jie; XIAO Ji-Jun; YIN Kai-Liang; XIAO He-Ming.Molecular Dynamics Simulation of Binding Energy of TATB- based PBX[J]. Acta Phys. -Chim. Sin., 2005,21(04): 425-429
256. ZHANG Ai-Long; LIU Rang-Su; LIANG Jia; ZHENG Cai-Xing.A Simulation Study for Effects of Cooling Rate on Evolution of Microstructures during Solidification Process of Liquid Metal Ni[J]. Acta Phys. -Chim. Sin., 2005,21(04): 347-353
257. QIN Xing; ZHANG Bing-Jian; ZHANG Hui; HU Wen-Xuan.Diffusivity of Liquid Mixture Confined in Silicate Pore by Molecular Dynamic Simulation[J]. Acta Phys. -Chim. Sin., 2005,21(03): 315-318
258. WANG Xiao-Feng; WANG Da-Zhi; LIANG Ji.Pseudo-capacitance of Ultrafine Nickel Hydroxide Prepared by Sol-gel Method[J]. Acta Phys. -Chim. Sin., 2005,21(02): 117-122
259. ZHANG Tao;GU Ting-Kun;QI Yuan-Hua.Evolvement on the Microstructure of Molten Compound AuCu3 in Rapid Cooling[J]. Acta Phys. -Chim. Sin., 2005,21(02): 173-176
260. LI Yu-Ping;CAO Hong-Bin;ZHANG Yi.Direct Electrochemistry of Hemoglobin Immobilized on Carbon Paste Electrode Modified by Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2005,21(02): 187-181
261. LIU Ying-Chun;WANG Qi;LÜ Ling-Hong;ZHANG Lian-Zhong.Structural and Diffusion Properties of Water in Hydrophobic Micropores by Molecular Simulation[J]. Acta Phys. -Chim. Sin., 2005,21(01): 63-68
262. Zhu Su-Bing;Sun Si-Xiu;Wei-Wei;Xu Jun-Jian;Li Yan.The Preparation of Nitrogen-doped Carbon Nanotubes from Pyridine[J]. Acta Phys. -Chim. Sin., 2004,20(11): 1320-1323
263. Huang Xiang-Ping;Lü Hai-Feng;Huang Xin-Tang.A Simple Chemical Method of Opening and Decorating Carbon Nanotubes by Polyvinyl Alcohol[J]. Acta Phys. -Chim. Sin., 2004,20(10): 1242-1244
264. Wang Hai-Fang;Deng Xiao-Yong;Wang Jing;Gao Xing-Fa;Xing Geng-Mei;Shi Zu-Jin;Gu Zhen-Nan;Liu Yuan-Fang;Zhao Yu-Liang.XPS Study of C-I Covalent Bond on Single-walled Carbon Nanotubes (SWNTs)[J]. Acta Phys. -Chim. Sin., 2004,20(07): 673-675
265. Jiang Qi;Lu Xiao-Ying;Zhao Yong;Yu Zuo-Long.Effect of Microstructure’s Change on Electrochemical Capacitance of Carbon Nanotubes[J]. Acta Phys. -Chim. Sin., 2004,20(05): 546-549
266. Zhang Qi-Feng;Yu Jie;Song Jiao-Hua;Zhang Geng-Min;Zhang Zhao-Xiang;Xue Zeng-Quan;Wu Jin-Lei.Fabrication of Aligned Carbon Nanotubes by a Vapor-phase Deposition Technique and Their Field Emission Properties[J]. Acta Phys. -Chim. Sin., 2004,20(04): 409-413
267. Li Huan-Jun;Guan Lun-Hui;Shi Zu-Jin;Gu Zhen-Nan.Synthesis and Characterization of C60@SWNTs[J]. Acta Phys. -Chim. Sin., 2004,20(04): 373-376
268. Deng Mei-Gen;Zhang Zhi-An;Hu Yong-Da;Wang Bin-Hua;Yang Bang-Chao.Effect of Activation and Surface Modification on the Properties of Carbon Nanotubes Supercapacitors[J]. Acta Phys. -Chim. Sin., 2004,20(04): 432-435
269. Liu Xin;Meng Chang-Gong;Liu Chang-Hou.Melting and Superheating of Ag at High Heating Rate[J]. Acta Phys. -Chim. Sin., 2004,20(03): 280-284
270. Shao Jun;Xu Hua;Lu Wen-Cong;Chen Nian-Yi.Transport Property Anomalies under High Pressure in Molten Na2O-SiO2 Binary System Studied by Molecular Dynamics Simulation[J]. Acta Phys. -Chim. Sin., 2004,20(03): 237-239
271. Yin Kai-Liang;Xu Duan-Jun;Xia Qing;Ye Ya-Jing;Wu Guo-Ying;Chen Cheng-Lung.Molecular Dynamics Simulation on Solidification Process of n-hexadecane Systems[J]. Acta Phys. -Chim. Sin., 2004,20(03): 302-305
272. Wei Jin-Quan;Jiang Bin;Li Yan-Hui;Wu De-Hai.Preparation and Structure of Boron Carbide Nanowires[J]. Acta Phys. -Chim. Sin., 2004,20(03): 256-259
273. Zhu Hai-Bin;Li Zhen-Hua;Liu Zi-Yang;Wang Feng-Fei;Wang Xin-Qing;Wang-Miao.Synthesis of Carbon Nanotubes by Decomposing Alcohol[J]. Acta Phys. -Chim. Sin., 2004,20(02): 191-193
274. Niu Jia-Li;Zou Hong-Ling;Zhang Jin;Liu Zhong-Fan.Tracing the Chemical Oxidation Process of Single-walled Carbon Nanotubes by Silver Nanoparticles[J]. Acta Phys. -Chim. Sin., 2004,20(01): 1-4
275. Bai Yu-Lin;Chen Xiang-Rong;Yang Xiang-Dong;Lu Peng-Fei.Structures of Small Sulfur Clusters Sn(n=2~8) from Langevin Molecular Dynamics Methods[J]. Acta Phys. -Chim. Sin., 2003,19(12): 1102-1107
276. Qin Xu-Bo;Zhang Yan-Ning;Lu Jian-Lin.The Ability of Glass Formation Dominated by the Mismatch in Atomic Size[J]. Acta Phys. -Chim. Sin., 2003,19(12): 1163-1166
277. Liu Ji-Xin;Xie You-Chang.Single-wall Carbon Nanotubes Produced by Decomposition of CH4 on W-Fe-MgO Catalysts[J]. Acta Phys. -Chim. Sin., 2003,19(11): 1093-1096
278. Yu Yong-Hui;Li Chun-Hua;Lu Ben-Zhuo;Chen Wei-Zu;Wang Cun-Xin.A New Method to Select the Near-native Conformations from the Docked Structures[J]. Acta Phys. -Chim. Sin., 2003,19(08): 757-761
279. Zhang Tao;Zhang Xiao-Ru;Wu Ai-Ling;Guan Li;Xu Chang-Ye.Molecular Dynamics Simulations of the Heating and Melting Processes of Metal Cu[J]. Acta Phys. -Chim. Sin., 2003,19(08): 709-713
280. Liu Xin;Meng Chang-Gong;Liu Chang-Hou.Heating Rate Induced Melting and Superheating of Pb[J]. Acta Phys. -Chim. Sin., 2003,19(08): 681-685
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