ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2014,Vol.30>> Issue(7)>> 1230-1238     doi: 10.3866/PKU.WHXB201405201         中文摘要
First-Principles Calculations of the Adsorption of Au, Ag and Cu Atoms on Defected Graphene
MI Chuan-Tong1,2, LIU Guo-Ping1,2, WANG Jia-Jia1,2, GUO Xin-Li1,2, WU San-Xie3, YU Jin1,2
1. School of Materials Science and Engineering, Southeast University, Nanjing 211189, P. R. China;
2. Jiangsu Key Laboratory of Advanced Metallic Materials, Southeast University, Nanjing 211189, P. R. China;
3. School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, P. R. China
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The adsorption of Au, Ag and Cu atoms on either one side or both sides of defected graphene were studied based on first-principles, using density functional theory (DFT), and the adsorption energies as well as the magnetic, charge transfer and electronic structures of the systems were calculated and analyzed. Compared with perfect graphene, the adsorption energies of Au, Ag, and Cu atoms on defected graphene were found to increase by more than 2 eV, demonstrating that the metal atoms are more easily absorbed at defect locations. Analysis of the electronic structures and charge density differences of these adsorption systems showed that chemisorption takes place between the Au, Ag, and Cu atoms and vacancy defects. The magnetic property results indicated that each of these three adsorption systems are magnetic. In the case of single-sided adsorption, the magnetic moments are approximately 1μB, while for double-sided adsorption, the magnetic moments are about 2μB.

Keywords: Defected graphene   Adsorption energy   Magnetism   Electronic structure   First-principles  
Received: 2014-03-05 Accepted: 2014-05-19 Publication Date (Web): 2014-05-20
Corresponding Authors: YU Jin Email:

Fund: The project was supported by the National Natural Science Foundation of China (21173041).

Cite this article: MI Chuan-Tong, LIU Guo-Ping, WANG Jia-Jia, GUO Xin-Li, WU San-Xie, YU Jin. First-Principles Calculations of the Adsorption of Au, Ag and Cu Atoms on Defected Graphene[J]. Acta Phys. -Chim. Sin., 2014,30 (7): 1230-1238.    doi: 10.3866/PKU.WHXB201405201

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76. 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
77. NI Bi-Lian, ZHOU He-Gen, JIANG Jun-Quan, LI Yi, ZHANG Yong-Fan.Electronic Structure and Optical Properties of the Novel Nonlinear LiAsSe2 Crystal[J]. Acta Phys. -Chim. Sin., 2010,26(11): 3052-3060
78. CHEN Ye, CHEN Jian-Hua, GUO Jin.Effect of Natural Impurities on the Electronic Structures and Semiconducting Properties of Sphalerite[J]. Acta Phys. -Chim. Sin., 2010,26(10): 2851-2856
79. NING Hua, TAO Xiang-Ming, WANG Mang-Mang, CAI Jian-Qiu, TAN Ming-Qiu.Density Functional Theory Study on Hydrogen Adsorption on Be(0001) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2267-2273
80. LIU Xiao-Liang, REN Yi, LIANG Liang-Wen, XU Hui.Electronic Structures and Optical Properties of BeO under High Pressure[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2298-2305
81. SHEN Bin, WANG Yong-An, WANG Zhi-Fei, ZHANG Ling.Catalytic Activity of an Oxime Carbapalladacycle Complex Grafted onto Superparamagnetically Mesoporous Nanoparticles for the Heck Reaction[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1860-1866
82. XIE Ling-Hai, CHANG Yong-Zheng, GU Ju-Fen, SUN Rui-Juan, LI Jie-Wei, ZHAO Xiang-Hua, HUANG Wei.Design of Organic/Polymeric π-Semiconductors: the Four-Element Principle[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1784-1794
83. WANG Hua-Yu, ZHANG Chang-Bin, HE Hong, WANG Lian.Preparation o fMagnetic Sulfonated Carbon-Based Solid Acid Catalysts for the Hydrolysis of Cellulose[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1873-1878
84. LI Kuo, WANG Ying-Xia, SU Jie, LIN Jian-Hua.Syntheses, Structures and Properties of Hemi-Hydrogarnet Sr6Sb4M3O14(OH)10 (M=Co,Mn)[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1823-1831
85. LI Qiao-Ling, CHANG Chuan-Bo, JING Hong-Xia, YANG Xiao-Feng.Synthesis and Magnetic Property of Shape-Controlled Nano-SrFe12O19[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1699-1704
86. LU Hui-Zhe, FENG Zhen-Gao, LI Chang, YUAN Hui-Zhu, QIN Zhao-Hai.Electronic Structure Comparison between Pyrimorph and Its Phenyl Analog[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1623-1628
87. LI Yu-Qiong, CHEN Jian-Hua, CHEN Ye.Electronic Structures and Flotation Behavior of Pyrite Containing Vacancy Defects[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1435-1441
88. 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
89. LI Guang-Xu, CHEN Xiao-Wei, BAI Jia-Dong, LAN Zhi-Qiang, GUO Jin.Adsorption and Diffusion of H on Mg2Ni(100) Surface[J]. Acta Phys. -Chim. Sin., 2010,26(05): 1448-1456
90. JIANG Hong.The GW Method: Basic Principles, Latest Developments and Its Applications for d-and f-Electron Systems[J]. Acta Phys. -Chim. Sin., 2010,26(04): 1017-1033
91. YUN Jiang-Ni, ZHANG Zhi-Yong.Effect of In and Sc Doping on the Electronic Structure and Optical Properties of SrTiO3[J]. Acta Phys. -Chim. Sin., 2010,26(03): 751-757
92. LIU Xing-Chen, DANG Yong-Qiang, WU Yu-Qing.A Convenient Method to Synthesize Surface Amino-Coated Superparamagnetic Fe3O4 Nanoparticles[J]. Acta Phys. -Chim. Sin., 2010,26(03): 789-794
93. LIU Bo-Jie, LI Xue-Yi, CHEN Wei, LIU Ren-Xiao, GE Guang-Lu.Surface Ligand Exchange and Phase Transfer of Iron Oxide Magnetic Nanoparticles[J]. Acta Phys. -Chim. Sin., 2010,26(03): 784-788
94. YU Li, ZHENG Guang, HE Kai-Hua, ZENG Zhong-Liang, CHEN Qi-Li, WANG Qing-Bo.Electronic Structure and Magnetism of Transition Metal Doped SnO2[J]. Acta Phys. -Chim. Sin., 2010,26(03): 763-768
95. LIANG Zhen-Hai, DING Yong-Bo, FAN Cai-Mei, HAO Xiao-Gang, HAN Pei-De.Formation Energy and Electronic Structure of a Sn1-xSbxO2 Solid Solution Electrode[J]. Acta Phys. -Chim. Sin., 2010,26(03): 758-762
96. CAO Qing-Song, DENG Kai-Ming.Structure Stability and Electronic Properties of C56X10(X=F, Cl, Br, I)[J]. Acta Phys. -Chim. Sin., 2010,26(02): 461-465
97. LIU Jian-Cai, ZHANG Xin-Ming, CHEN Ming-An, TANG Jian-Guo, LIU Sheng-Dan.Electrochemical Dissolution Trends of Pb-Containing Al Alloy Surfaces[J]. Acta Phys. -Chim. Sin., 2010,26(01): 163-168
98. ZHAO Xin-Xin, TAO Xiang-Ming, MI Yi-Ming, CHEN Shu, TAN Ming-Qiu.Geometric Structures and Electronic States of Ni(110)-p2mg(2×1)-CO Surface[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2305-2311
99. ZHANG Zi-Ying, YANG De-Lin, LIU Yun-Hu, CAO Hai-Bin, SHAO Jian-Xin, JING Qun.Electronic Structures and Optical Properties of BaTiO3[J]. Acta Phys. -Chim. Sin., 2009,25(09): 1731-1736
100. CHEN Qi-Li, TANG Chao-Qun.First-Principles Calculations on Electronic Structures of N/F-Doped and N-F-Codoped TiO2 Anatase (101) Surfaces[J]. Acta Phys. -Chim. Sin., 2009,25(05): 915-920
101. CAO Ji-Lin, LIU Zhen-Lu, LIU Xiu-Wu.Synthesis of Iron-Doped Analcime and Its Magnetic[J]. Acta Phys. -Chim. Sin., 2009,25(04): 707-712
102. LIU Yi-Liang, YANG Bin-Wei, JIANG Gang.Electronic Effects of Atomic Nitrogen on Carbon on the Ni(111) Surface[J]. Acta Phys. -Chim. Sin., 2009,25(03): 435-440
103. ZHAO Xin-Xin, TAO Xiang-Ming, MI Yi-Ming, TAN Ming-Qiu.Total Energy Calculations on the Geometry Structure of Pt/Cu(001)-p(2×2)-O Surface[J]. Acta Phys. -Chim. Sin., 2009,25(03): 567-574
104. DU Ye-Ping; CHEN Jing-Chao; FENG Jing.Mechanical Properties and Electronic Structures of Various SnO2 Crystal Structures[J]. Acta Phys. -Chim. Sin., 2009,25(02): 278-284
105. CUI Ming-Xia; DONG Shi-Hong; WANG Wen-Liang; YIN Shi-Wei; LV Jian.Electronic Structures and Spectroscopic Properties of 4-[(1,2-Diphenyl)-4’-(N,N-diphenyl-4-vinylbenzenamine)] Biphenyl and Its Difluorinated Derivatives[J]. Acta Phys. -Chim. Sin., 2009,25(02): 347-352
106. ZHAO Qing-Xun; GENG Bo; WANG Shu-Biao; BIAN Fang; GUAN Li; LIU Bao-Ting.Effect of Hydrogen on the Ferroelectric Properties of PbZr0.5Ti0.5O3 during Forming Gas Annealing[J]. Acta Phys. -Chim. Sin., 2009,25(01): 183-186
107. ZHANG Cai-Rong; WU You-Zhi; CHEN Yu-Hong; CHEN Hong-Shan.Geometries, Electronic Structures and Related Properties of Organic Dye Sensitizers JK16 and JK17[J]. Acta Phys. -Chim. Sin., 2009,25(01): 53-60
108. HUA Zheng-He; LI Dong; FU Hao.Sol-Gel Template Synthesis and Characterization of Magnetoelectric CoFe2O4/BaTiO3 Nanotubes[J]. Acta Phys. -Chim. Sin., 2009,25(01): 145-149
109. LI Kui-Ying; GUO Jing; LIU Tong; ZHOU Bing-Jing; LI Yue.Electron Structure and Energy Transformation Mechanism of the Surface of Porous Nanocrystalline TiO2 Doped with La[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2096-2101
110. LI Lai-Cai; WANG Yi-Wei; TIAN An-Min.Adsorption of Methanol on the Pt-Mo(111)/C Surface[J]. Acta Phys. -Chim. Sin., 2008,24(11): 2013-2018
111. CHENG Hai-Bin; WANG Jin-Ming; MA Hui-Ru; HOU Peng; GUAN Jian-Guo; ZHANG Qing-Jie.Stability and Anti-Oxidization of Aqueous MR Fluids Improved by Modifying Iron Particle Surface with Organic Molecule[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1869-1874
112. SU Bi-Tao; ZUO Xian-Wei; HU Chang-Lin; LEI Zi-Qiang.Synthesis and Electromagnetic Properties of Polyaniline/CoFe2O4 Nanocomposite[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1932-1936
113. LI Zong-Bao; YAO Kai-Lun; LIU Zu-Li.Electronic Structure and Ferromagnetic Properties of Organic-Inorganic Hybrid Compound [Cu(μ-cbdca)(H2O)]n[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1681-1684
114. LEI Xue-Ling; ZHU Heng-Jiang; WANG Xian-Ming; LUO You-Hua.Study on Structures and Properties of ZrnB(n=1-13) Clusters Using DFT[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1655-1661
115. LUO Shi-Xia; ZHANG Xiao-Yi; ZHANG Si-Ting; ZHU Huai-Wu; HU Ji-Wei; WEI Gang.Influence of Substituents on Electron Transport through the Single-Molecule Mercapto-Azobenzene[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1471-1476
116. SUN Hui-Qing; DING Shao-Feng; WANG Yu-Tian; DENG Bei; FAN Guang-Han.Structural, Energetical and Electronic Properties of CdO and CdxZn1-xO Compounds[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1233-1238
117. LV Jin; XU Xiao-Hong; WU Hai-Shun.Structure and Magnetismof (CoCr)n (n=1-5) Alloy Clusters[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1252-1256
118. ZHANG Hong-Ye; JI Tian-Hao; LI Ling-Long; QI Xing-Yi; LIU Yi-Fan; CAI Jian-Wang; DU Hai-Yan; SUN Jia-Yue.Preparation and Characterization of Room-temperature Ferromagnetic Ni-doped TiO2 Nanobelts[J]. Acta Phys. -Chim. Sin., 2008,24(04): 607-611
119. LIANG Chu; LI Guang-Xu; LAN Zhi-Qiang; LIU Yi-Xin; WEI Wen-Lou; GUO Jin.Bond Characters and Thermodynamic Stabilities of LiAlH4 and Li3AlH6[J]. Acta Phys. -Chim. Sin., 2008,24(04): 686-690
120. LUO Wen-Hua; MENG Da-Qiao; LI Gan; CHEN Hu-Chi.Electronic Structure and Formation Heat of Pu3Mand PuM3 (M=Ga, In, Sn and Ge) Compounds[J]. Acta Phys. -Chim. Sin., 2008,24(03): 388-392
121. MIAO Yue; YUAN Hong-Kuan; CHEN Hong.Electronic Structure and Magnetism of Double Perovskite Sr2-xLaxCrReO6[J]. Acta Phys. -Chim. Sin., 2008,24(03): 448-452
122. OUYANG Fang-Ping; XU Hui; LI Ming-Jun; XIAO Jin.Electronic Structure and Transport Properties of Armchair Graphene Nanoribbons[J]. Acta Phys. -Chim. Sin., 2008,24(02): 328-332
123. WU Guang-Xin; ZHANG Jie-Yu; WU Yong-Quan; LI Qian; CHOU Kuo-Chih; BAO Xin-Hua.First-Principle Calculations of the Adsorption, Dissociation and Diffusion of Hydrogen on the Mg(0001) Surface[J]. Acta Phys. -Chim. Sin., 2008,24(01): 55-60
124. CHEN Kun; FAN Guang-Han; ZHANG Yong; DING Shao-Feng.First-Principle Calculation of Nitrogen-Doped p-Type ZnO[J]. Acta Phys. -Chim. Sin., 2008,24(01): 61-66
125. HAO Li-Juan; LI Shuang-Yan; HAN Lei; HUANG Jie; CHANG Jin.Preparation and Characterization of a Novel Magnetic Nano-Gene Vector[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1857-1863
126. CAO Ji-Lin; XING Dong-Qiang; LIU Xiu-Wu; TAN Zhao-Yang.Synthesis of Magnetic 4A Zeolite at Ultrasonic Condition[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1893-1898
127. YAN Gong-Qin; GUAN Jian-Guo; WANG Wei.Monodispersed Fe3O4 Hollow Submicro-spheres Prepared by Pyrolysis-Deoxidization[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1958-1962
128. LI Lin-Lin; CHEN Dong; DING Ming-Hui; TANG Fang-Qiong; MENG Xian-Wei; REN Jun; ZHANG Lin.Preparation and Controlled Drug Release Properties of Magnetic Microcapsules[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1969-1973
129. ZHANG Li-Min; FAN Guang-Han; DING Shao-Feng.First-principles Calculation of AlN Electronic Structure by Doping with Mg and Zn[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1498-1502
130. ZHU Chen-Hua; SHEN He-Bai; XU Rui-Yun; WANG Hao-Yue; HAN Ji-Mei.The Adsorption of Bovine Serum Albumin onto Magnetic Chitosan Microspheres[J]. Acta Phys. -Chim. Sin., 2007,23(10): 1583-1588
131. LI Jia-Xin; LAI Heng; ZHANG Zhi-Cheng; ZHUANG Bin; HUANG Zhi-Gao.Electrodeposited Sm-Co Alloy Films and Their Magnetic Properties in Low Temperature Molten Salts[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1301-1305
132. HU Hai-Quan; LI Heng-Shuai; CUI Shou-Xin; WANG Wen-Jun.Electronic Structure and Magnetic Properties of Fe/Cr Superlattices[J]. Acta Phys. -Chim. Sin., 2007,23(06): 846-850
133. LI Si-Dian; GUO Qiao-Ling; MIAO Chang-Qing; REN Guang-Ming.Investigation on Transition-Metal Hydrometal Complexes MnHnC with Planar Coordinate Carbon Centers by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2007,23(05): 743-745
134. WANG Jun; FAN Mei-Qing; YANG Piao-Ping; YU Wei; JING Xiao-Yan; ZHANG Mi-Lin; LIU Tian-Fu; DUAN Xue.Preparation and Characterization of Magnetic Solid Superacid SO2-4/ZrO2/Fe3O4/Al2O3[J]. Acta Phys. -Chim. Sin., 2007,23(04): 595-600
135. TIAN Meng-Kui; JIANG Li; SHANGGUAN Wen-Feng; WANG Shi-Jie2;OUYANG Zi-Yuan.Electronic Structures of the Visible-light Driven Photocatalysts K4Ce2Ta10O30, K4Ce2Nb10O30 and Their Solid Solution Compounds[J]. Acta Phys. -Chim. Sin., 2007,23(04): 466-472
136. CHEN Zhi-Jun;PENG Kai;FANG Shao-Ming;TIAN Jun-Feng;LI Ding-Ding;JIA Lu-Jun;MAO Xiao-Feng.Preparation of Magnetic Polystyrene Nanoparticles by the Controlled/“Living” Free Radical Polymerization of Styrene[J]. Acta Phys. -Chim. Sin., 2007,23(03): 349-354
137. JIA Jian-Feng;WU Hai-Shun.Structure and Properties of C-NT@BN-NT[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1520-1525
138. LI Li;WU Feng;CHEN Shi;CHEN Ren-Jie .First Principles Analysis for Electronic Structure on LaNi5-xCox Alloys[J]. Acta Phys. -Chim. Sin., 2006,22(11): 1331-1336
139. 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
140. XU Guo-Liang.The Effect of Number on the Structural Properties for Carbon Molecular Wires Cn (n=3~10) in Ground State[J]. Acta Phys. -Chim. Sin., 2006,22(06): 701-705
141. HU Yun-Wan;QIAN Hui-Qin;CHEN Qiao;MAO Hong-Ying;SONG Fei;HUANG Han;LI Hai-Yang;HE Pi-Mo;BAO Shi-Ning.The Thin Films Growth of Fluorescein on Ag(110)[J]. Acta Phys. -Chim. Sin., 2006,22(04): 470-474
142. YAO Su-wei; WU Hai-xia; WANG Hong-zhi; ZHANG Wei-guo.Electrodeposition of Cu-Co Granular Films on Semiconductor Si Substrate and Their GMR Effect[J]. Acta Phys. -Chim. Sin., 2005,21(08): 915-919
143. LI Rong; ZHOU Shang-qi; CHEN Chang-guo; LIANG Guo-ming; LIU Shou-ping; KONG Ji-lan.Quantum Chemistry Study on Electronic Structure of Vanadium Hydride[J]. Acta Phys. -Chim. Sin., 2005,21(07): 716-720
144. HU Ya-Lan; HUANG Feng; JIANG Hui; FAN Chong-Xu; CHEN Chang-Ying; CHEN Ji-Sheng.Structure-Activity Relationship and Molecular Design ofα-conotoxins[J]. Acta Phys. -Chim. Sin., 2005,21(05): 474-478
145. JIANG Wei;LI Feng-Sheng;CHEN Ling-Yun;YANG Yi;CHU Jian-Jun.Preparation and Properties of Novel Magnetic Fe3O4/EDTA Nano-composite Particles[J]. Acta Phys. -Chim. Sin., 2005,21(02): 182-186
146. Yang Bing; Zhang Hai-Quan; Xu Hai; Zheng Yan; Yu Jing-Sheng; Ma Yu-Guang; Shen Jia-Cong.A Theoretical Investigation of Conformation and Electronic Structure of Poly(m-phenylene) and Its Derivatives[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1476-1480
147. Li Song-Mei;Chen Dong-Mei;Liu Jian-Hua.

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148. Wu Xiao-Jun;Li Qun-Xiang;Huang Jing;Yang Jin-Long.Theoretical Study on the Electron Transport Properties of Single Molecular Bridge[J]. Acta Phys. -Chim. Sin., 2004,20(08S): 995-1002
149. Huang Han;Yan Xin-Cheng;Mao Hong-Ying;Chen Qiao;Qian Hui-Qin;Zhang Jian-Hua;Li Hai-Yang;He Pi-Mo;Bao Shi-Ning.The Electronic States of Ordered Thin Film of Perylene on Ag (110)[J]. Acta Phys. -Chim. Sin., 2004,20(08): 892-896
150. Du Jun;Wu Ling;Tao Chang-Yuan;Sun Cai-Xin.Preparation and Characterization of Fe3O4/PVDF Magnetic Composite Membrane[J]. Acta Phys. -Chim. Sin., 2004,20(06): 598-601
151. Zhang Jing-Lai;Miao Ti-Fang;Tao Ruo-Jie;Zang Shuang-Quan;Tian An-Min.Density Functional Theory Study on Phenolato-bridged CuⅡ-CoⅡ Heterobinuclear Complex[J]. Acta Phys. -Chim. Sin., 2003,19(06): 549-552
152. Qiu Li-Mei;Liu Fen;Zhao Liang-Zhong.Synthesis of K-Pb-Tl-O Complex Oxides and XPS Study on Their Electronic Structure[J]. Acta Phys. -Chim. Sin., 2002,18(07): 633-635
153. Zhang Jian-Hua;Zhuang You-Yi;Wu Yue;Bao Shi-Ning;Liu Feng-Qin;Yipulaxin•Kuirexi;Qian Hai-Jie.The Electronic Structure of Hexene on Ru(1010) Surface[J]. Acta Phys. -Chim. Sin., 2002,18(05): 437-440
154. Yang Gang;Long Xiang-Yun;Yang Gao-Wen;Zeng Xiao-Jun.The Electronic Structure and Properties of 5,14-Dihydro-6,8,15,17-tetramethydibenzo[b,i][1,4,8,11] tetraaza [14]annulene and Its Metal Complexes[J]. Acta Phys. -Chim. Sin., 2002,18(02): 100-105
155. Yu Hai-Tao;Chi Yu-Juan;Fu Hong-Gang;Huang Xu-Ri;Sun Jia-Zhong.The Structures and Relative Stabilities of HBO2 Isomers[J]. Acta Phys. -Chim. Sin., 2002,18(01): 87-90
156. Shi Shen-Lei;Lou Hui;Zhang Jian-Hua;Lü Ping;Jiang Ning;He Pi-Mo;Bao Shi-Ning.Investigation on the Interface between COT-H and Ru by UPS[J]. Acta Phys. -Chim. Sin., 2002,18(01): 30-33
157. Shi Wei-Xian;Yang Jun;Wang Ting-Jie;Jin Yong.Surface Organic Modification of Magnetic Iron Oxide Black Particles[J]. Acta Phys. -Chim. Sin., 2001,17(06): 507-510
158. Zhao Liang-Zhong;Liu Fen;Zhang Lin.XPS Study on Electronic Structure for LnCu2O4(Ln=Gd, Nd)[J]. Acta Phys. -Chim. Sin., 2001,17(04): 310-313
159. Wu Wei-Dong;Zhang Zhan-Wen;Luo Jiang-Shan;Tang Yong-Jian;Zheng Yong-Ming;Lu Xiao-Ming;Zhao Peng-Ji.Study of CuxC60 Film UV-Vis Absorption Spectrum[J]. Acta Phys. -Chim. Sin., 2001,17(01): 83-86
160. Chen Chang-Ying, Ding Xiao-Qin, Feng Shan.Studies on Electronic Structure and Structure-Activity Relationship of Ciguatoxin(CTX)[J]. Acta Phys. -Chim. Sin., 2000,16(04): 307-311
161. Zhang Lin, Zhao Liang-Zhong, Zhang Jin-Biao, Xu Cui-Ying, Liu Shi-Hong.Anodic Electrocrystallization of BaKPbO and BaKPbBiO from Molten Salt[J]. Acta Phys. -Chim. Sin., 1999,15(11): 1049-1052
162. Li Wen, Zhang Rui-Lin, Yu Rui-Huang.Analysis on Valence Electron Structures of Titanium Aluminides[J]. Acta Phys. -Chim. Sin., 1999,15(09): 824-829
163. Xu Ming-Xiang.Study of Magnetic Properties in ZnxFe3-xO4 Composite Magnetic Fluids[J]. Acta Phys. -Chim. Sin., 1999,15(07): 619-623
164. Zheng Kang-Cheng, Chen Zhong-Ning, Huang Jia-Duo, Liu Han-Qin.Ab Initio Calculation on Oxamidato-bridged Binuclear Copper(II) Complex as Structural Unit[J]. Acta Phys. -Chim. Sin., 1999,15(03): 204-209
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