ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2004,Vol.20>> Issue(08S)>> 1045-1054     doi: 10.3866/PKU.WHXB200408zk23         中文摘要
Cluster Modeling of Chemisorption and Reactions on Metal Oxide Surfaces
Xu Xin;Lü Xin;Wang Nan-Qin;Zhang Qian-Er
State Key Laboratory for Physical Chemistry of Solid Surfaces & Center for Theoretical Chemistry, Department of Chemistry & Institute of Physical Chemistry, Xiamen University, Xiamen 361005
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The research on the cluster modeling of chemisorption and reactions on metal oxide surfaces in our group has been reviewed. Three principles, namely, neutrality principle, stoichiometrical principle and coordination principle were proposed for building up cluster models of metal oxides. Good correlation between the topologic parameters Nc(βc), Na(βa) and Nd(βd) with the stability of clusters has been shown. The problem of how the ways of embedding affect the calculated electronic properties of the substrate clusters and the adsorption properties has been investigated. Based on these, we proposed an SPC model, which is a stoichiometric cutout cluster embedded in a spherically expanded point charge surrounding with charges being self-consistently determined. We have successfully applied the SPC model to a variety of important systems, including H2/ZnO, O/MgO, NO/MgO, N2O/MgO, N2O/Li/MgO, CO/MgO and CO/NiO.

Keywords: Cluster modeling   Oxide   Chemisorption   Surface reaction   Quantum chemistry  
Received: 2004-01-02 Accepted: 2004-05-15 Publication Date (Web): 2004-08-15
Corresponding Authors: Xu Xin Email:

Cite this article: Xu Xin;Lü Xin;Wang Nan-Qin;Zhang Qian-Er. Cluster Modeling of Chemisorption and Reactions on Metal Oxide Surfaces[J]. Acta Phys. -Chim. Sin., 2004,20 (08S): 1045-1054.    doi: 10.3866/PKU.WHXB200408zk23
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93. LIU Chang, XUE Li, HE Hong.Influence of Alkaline Earth Metals on Cobalt-Cerium Composite Oxide Catalysts for N2O Decomposition[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1033-1039
94. ZENG Fan-Gui, JIA Jian-Bo.Reaction Types and Kinetics of Methane Generation from Huolinhe Lignite Pyrolysis by TG/MS Experiment and Quantum Chemical Calculations[J]. Acta Phys. -Chim. Sin., 2009,25(06): 1117-1124
95. FAN You-Jun, ZHEN Chun-Hua, CHEN Sheng-Pei, SUN Shi-Gang.Effect of Specific Adsorption of Anions and Surface Structure of Pt(111) Electrode on Kinetics of Dissociative Adsorption of Ethylene Glycol[J]. Acta Phys. -Chim. Sin., 2009,25(05): 999-1003
96. LIU Xia, ZHENG Yu-Gui.Inhibition Behavior of Two Imidazoline-Based Inhibitors with Different Hydrophilic Groups in Single Liquid Phase and Liquid/Particle Two-Phase Flow[J]. Acta Phys. -Chim. Sin., 2009,25(04): 713-718
97. NI Zhe-Ming, XU Qian, PAN Guo-Xiang, MAO Jiang-Hong.Theoretical Processing in Understanding the Structures and Properties of Layered Double Hydroxides[J]. Acta Phys. -Chim. Sin., 2009,25(04): 792-805
98. CHEN Zhi-Hang, LI Xue-Hui, YANG Qing, LI Hua, GAO Xiang, JIANG Yan-Bin, WANG Fu-Rong, WANG Le-Fu.Removal of NOx Using Novel Fe-Mn Mixed-Oxide Catalysts at Low Temperature[J]. Acta Phys. -Chim. Sin., 2009,25(04): 601-605
99. LI Zhang-Peng, XING Yong-Heng, ZHANG Yuan-Hong, BAI Feng-Ying, ZENG Xiao-Qing, GE Mao-Fa.Synthesis, Structure and Quantum Chemistry Calculation of Scorpionate Oxovanadium Complexes with Benzoate[J]. Acta Phys. -Chim. Sin., 2009,25(04): 741-746
100. ZHANG Jing, DU Min, YU Hui-Hua, WANG Ning.Effect of Molecular Structure of Imidazoline Inhibitors on Growth and Decay Laws of Films Formed on Q235 Steel[J]. Acta Phys. -Chim. Sin., 2009,25(03): 525-531
101. YU Jun-Jie; ZHU Ling; ZHOU Bo; SHAO Li-Nan; ZHANG Yu-Ting; HE Xu-Wen.N2O Catalytic Decomposition over Mixed Oxides Derived from Zn-substituted Hydrotalcite-like Compounds[J]. Acta Phys. -Chim. Sin., 2009,25(02): 353-359
102. LIU Jie-Xiang; WEI Xian; ZHANG Xiao-Guang; WANG Gui-Xiang; HAN En-Shan; WANG Jian-Guo.NOx Adsorption in [Ag]-AlMOR Molecular Sieve[J]. Acta Phys. -Chim. Sin., 2009,25(01): 91-96
103. WANG Zhong-Peng; CHEN Ming-Xia; SHANGGUAN Wen-Feng.Simultaneous Catalytic Removal of NOx and Diesel Soot over Cu-Containing Hydrotalcite Derived Catalysts[J]. Acta Phys. -Chim. Sin., 2009,25(01): 79-85
104. ZHU Rong-Shu; GUO Ming-Xin; OUYANG Feng.Simultaneous Catalytic Removal of Soot and NOx over Single Metal Oxide Catalysts[J]. Acta Phys. -Chim. Sin., 2009,25(01): 131-136
105. YANG Shun-Yi; WANG Xian-You; WEI Jian-Liang; LI Xiu-Qin; TANG An-Ping.Preparation and Electrochemical Performance of Na-Mn-O Cathode Materials[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1669-1674
106. QIAN Bao-Hua; MA Wei-Xing; XU Xing-You; LU Lu-De; YANG Xu-Jie; WANG Xin.Synthesis, Characterization and Quantum Chemistry Study of a One-dimensional Chain Coordination Polymer [Zn(acac)2(4,4’-bipy)]n[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1650-1654
107. 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
108. SHI Yan-Hua; MENG Hui-Min; SUN Dong-Bai; YU Hong-Ying; FU Hua-Rong.Manganese Oxide Coating Electrodes Prepared by Pulse Anodic Electrodeposition[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1199-1206
109. SUN Qi; REN Liang; NIU Jin-Hai; SONG Zhi-Min.Interactions of Dielectric Barrier Discharge Plasmas with NO or NO/O2 Adsorbed on CuZSM-5[J]. Acta Phys. -Chim. Sin., 2008,24(07): 1214-1218
110. 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
111. WANG Lin; CHEN Shun-Quan; LIU Yuan.NiO/LaMnO3 Catalysts for Steam Reforming of Ethanol[J]. Acta Phys. -Chim. Sin., 2008,24(05): 849-854
112. LI Wei; RONG Hua; WU Xin-Min; CHEN Zhong-Yuan.Microwave Synthesis, Characterization and Theoretical Study of para-Toluenesulfonic Acid Threonine Salt and Its Ester Derivatives[J]. Acta Phys. -Chim. Sin., 2008,24(05): 868-872
113. 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
114. LIU Fu-Guo; DU Min; ZHANG Jing; QIU Meng.Inhibition Mechanismof Imidazoline Derivative Inhibitor for Q235 Steel in Saltwater Saturated with CO2[J]. Acta Phys. -Chim. Sin., 2008,24(01): 138-142
115. REN Yun-Peng; LU Yu-Xiang; LOU Qi.Theoretical Study on the Behavior of CO Chemisorption on Low-index Platinum Surfaces[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1728-1732
116. YANG Zuo-Yin; ZHOU Hong-Wei; ZHANG Jing-Chang; CAO Wei-Liang.Relationship between Al/Mg Ratio and the Stability of Single-layer Hydrotalcite[J]. Acta Phys. -Chim. Sin., 2007,23(06): 795-800
117. XUE Li; HE Hong.Catalytic Decomposition of N2O over Co-M(M=La, Ce, Fe, Mn, Cu, Cr) Composite Oxide Catalysts[J]. Acta Phys. -Chim. Sin., 2007,23(05): 664-670
118. HE Qiong; WANG Shi-Zhong.Effects of the Concentration of LSGMC5 on the Performance of Ni-Fe Composite Anodes for Dimethyl Ether Fuel Cells[J]. Acta Phys. -Chim. Sin., 2007,23(04): 473-478
119. LAI Wei-Peng; XUE Yong-Qiang; LIAN Peng; GE Zhong-Xue; WANG Bo-Zhou; ZHANG Zhi-Zhong.Effects of Particle Size on Properties of Chemical Reaction Thermodynamics of Nanosystems[J]. Acta Phys. -Chim. Sin., 2007,23(04): 508-512
120. TAO Yan-Xin;YU Jun-Jie;LIU Chang-Chun;HAO Zheng-Ping;ZHANG Ze-Peng .Study on N2O Catalytic Decomposition over Mixed Oxides Derived from Co-Mg/Al Hydrotalcite-like Compounds[J]. Acta Phys. -Chim. Sin., 2007,23(02): 162-168
121. LEI Ze;ZHU Qing-Shan .Solution Combustion Synthesis and Characterization of Nanocrystalline La0.6Sr0.4Co0.2Fe0.8O3-δ Cathode Powders[J]. Acta Phys. -Chim. Sin., 2007,23(02): 232-236
122. LI Chang-Yu;LÜ Zhe;LIU Li-Li;LIU Zhi-Ming;SU Wen-Hui.Preparation and Performance Test of Ni-Fe/SDC Cell Anode[J]. Acta Phys. -Chim. Sin., 2006,22(10): 1181-1184
123. YANG Bing;LIU Xiao-Dong;XU Hai;ZHENG;Yan LU Ping;YU Jing-Sheng;MA Yu-Guang;FENG Ji-Kang.Effect of Connecting Formof Repeat Unit in Polyphenylene Derivatives Conjugated Polymers on Band Gap[J]. Acta Phys. -Chim. Sin., 2006,22(08): 962-966
124. ZOU Yu-Man;WANG Shi-Zhong .Preparation of Sm0.5Sr0.5CoO3-La0.8Sr0.2Ga0.8Mg0.15Co0.05O3 composite cathodes using wet-chemistry method and characterization of their properties[J]. Acta Phys. -Chim. Sin., 2006,22(08): 958-961
125. LIU Hui-Hong;WAN Yong-Qing;CHEN Xian-Tang;ZOU Guo-Lin.Electrochemistry of Immobilized Horseradish Peroxidase in Organic Solvents/Water Mixture[J]. Acta Phys. -Chim. Sin., 2006,22(07): 868-872
126. GAO Jie;WANG Shi-Zhong.Study of Ni Composite Anodes for Dimethyl Ether Fuel Cell[J]. Acta Phys. -Chim. Sin., 2006,22(07): 851-855
127. XIAO Jian-Hua;LI Xue-Hui;DENG Sha;XU Jian-Chang;WANG Le-Fu.The NOx Oxidation-Storage and Tolerance of SO2 Poison of Mn/Ba/Al2O3 Catalyst[J]. Acta Phys. -Chim. Sin., 2006,22(07): 815-819
128. DING Fu-Jiang;ZHAO Ke-Qing.Charge Trasport Properties in Discotic Liquid Crystals Made of the Extended-core m-phenylene Ethynylene Cycles[J]. Acta Phys. -Chim. Sin., 2006,22(06): 764-767
129. ZHUANG Quan-chao; FAN Xiao-yong; XU Jin-mei; CHEN Zuo-feng; DONG Quan-feng; JIANG Yan-xia; HUANG Ling; SUN Shi-gang.Electrochemical Impedance Spectroscopic Study of the First Delithiation of Spinel Lithium Manganese Oxide[J]. Acta Phys. -Chim. Sin., 2006,22(02): 234-238
130. CHEN Yong-Hong;WEI Yi-Jun;ZHONG Hong-Hai;GAO Jian-Feng;LIU Xing-Qin;MENG Guang-Yao.Synthesis and Properties of La0.5RE0.3Sr0.2FeO3-δ (RE = Nd, Ce, Sm) System with Two Rare Earths for Cathodes[J]. Acta Phys. -Chim. Sin., 2005,21(12): 1357-1362
131. GUAN Hong-bo; LIANG Jian; ZHU Yue-xiang; ZHAO Bi-ying; XIE You-chang.Structure Characterization and Monolayer Dispersion Phenomenon of MgO-ZrO2 Prepared by Co-precipitation[J]. Acta Phys. -Chim. Sin., 2005,21(09): 1011-1016
132. WANG Shu-jun; LUO Dai-bing; RUAN Wen-juan; ZHU Zhi-ang; MA Yi.Nonlinear Optical Properties and Conformational Study on Molecular Recognition of Imidazole Derivatives by Chiral Zinc Porphyrins[J]. Acta Phys. -Chim. Sin., 2005,21(08): 834-839
133. ZHANG Zhen-jiang; LU Jian-mei; ZHOU Wei-qun; QI Xiu-xiu.Theoretical Studies on the Third-order Nonlinear Optical Property of Polyamic Acid and It′s Grafted Ramification[J]. Acta Phys. -Chim. Sin., 2005,21(07): 711-715
134. MA Zhi-fang; LIANG Guang-chuan; LIANG Jin-sheng.Crystal Defect Behaviors in CeO2-based Electrolyte Doped with Alkaline Earth Oxides[J]. Acta Phys. -Chim. Sin., 2005,21(06): 663-667
135. LIU Wan-qiang; WANG Xue-ye; LI Xin-fang; LONG Qing-ping; WEN Xiao-hong; LI Jianjun.Quantum Chemistry-ANN Methods Study on Tg of Polyacrylates[J]. Acta Phys. -Chim. Sin., 2005,21(06): 596-601
136. PEI Mei-Xiang; LIN He; SHANGGUAN Wen-Feng; HUANG Zhen.The Effects of Plasma on Simultaneously Catalytic Removal of NOx and Soot[J]. Acta Phys. -Chim. Sin., 2005,21(03): 255-260
137. KANG Shou-Fang; JIANG Zheng; HAO Zheng-Ping.Influence of Cu on NOx Storage Performance of Pt/Cu-Mg-Al-O Catalysts Derived from Hydrotalcites[J]. Acta Phys. -Chim. Sin., 2005,21(03): 278-282
138. SHAO Guang-Xin; LUO Lai-Tao; DUAN Zhan-Hui.Preparation, Catalytic Oxidation Properties and Characterization of LaSrCo0.9B’0.1O4 (B’=Mn, Fe, Ni, Cu) Mixed Oxides[J]. Acta Phys. -Chim. Sin., 2005,21(03): 328-332
139. SUN Qi;ZHU Ai-Min;NIU Jin-Hai;XU Yong;SONG Zhi-Min.Plasma-induced Conversion of Nitrogen Oxides in a Dielectric Barrier Discharge Reactor[J]. Acta Phys. -Chim. Sin., 2005,21(02): 192-196
140. LIU Jian;ZHAO Zhen;XU Chun-Ming.The Structures of VOx/ZrO2 and K-VOx/ZrO2 Catalysts and Their Catalytic Performances for Diesel Soot Oxidation[J]. Acta Phys. -Chim. Sin., 2005,21(02): 156-160
141. FENG Dong-Dong;ZHUANG Qi-Xin;WU Ping-Ping;HAN Zhe-Wen.Theoretical Study of the Environment Effects on the Absorption Spectra of PBO Polymer[J]. Acta Phys. -Chim. Sin., 2005,21(01): 16-21
142. YANG Xiao-Guang;DONG Peng;ZHOU Ya-Song;LIU Tao;ZHANG Jing;XIEYa-Ning;HU Tian-Dou.The Local Structure of Titania-Silica Composite Oxides[J]. Acta Phys. -Chim. Sin., 2005,21(01): 33-37
143. WU Wen-Juan;LAI Rong;ZHENG Kang-Cheng;YUN Feng-Cun.Quantitative Structure-Activity Relationship of Indolo[1,2-b]quinazoline Derivatives with Antitumor Activity[J]. Acta Phys. -Chim. Sin., 2005,21(01): 28-32
144. Yu Jun-Jie; Jiang Zheng; Kang Shou-Fang; Hao Zheng-Ping.Catalytic Combustion of Soot over Cu-Mg/Al Composite Oxides[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1459-1464
145. Fu Tie-Xiang;Tao Jun;Li Dan.Synthesis and Gas Sensitive Properties of Mixed-Ligand Complex Ni(mnt)(bipyO2) with Big Conjugate System[J]. Acta Phys. -Chim. Sin., 2004,20(08): 843-848
146. Chen Ting-Ting;Huang Xiao-Hua;Du Jiang-Yan;Feng Yu-Ying;Liu Chang-Peng;Xing Wei;Lu Tian-Hong.Study on the Interaction Strength of La3+ or Eu3+ with Microperoxidase-8[J]. Acta Phys. -Chim. Sin., 2004,20(08): 887-891
147. Chen Lei;Liu Zhong-Hai;Shen Lei;Bao Jun;Liu Wen-Han;Gao Chen.Ultrafine Nano Suspensions of Rare Earth Oxides Prepared by High-energy Ball Milling in Pure Water[J]. Acta Phys. -Chim. Sin., 2004,20(07): 722-726
148. Liu Xian-Ming;Zhang Yi-He;Zhang Xiao-Gang;Fu Shao-Yun.The Supercapacitive Properties of Ni-Ru Oxide Composites[J]. Acta Phys. -Chim. Sin., 2004,20(04): 417-420
149. Wang Shi-Zhong;Liu Xuan.Preparation and Characterization of High Performance Sm0.5Sr0.5CoO3 Cathodes[J]. Acta Phys. -Chim. Sin., 2004,20(04): 391-395
150. Fan You-Jun;Fan Chun-Jie;Zhen Chun-Hua;Chen Sheng-Pei;Sun Shi-Gang.Kinetics of Dissociative Adsorption of Ethylene Glycol on Pt(111) Electrode[J]. Acta Phys. -Chim. Sin., 2004,20(04): 382-385
151. Li Yang-Mei;Jiang Xiu-Ming;Chen Zhi-Chun;Fu Shui-Yu;Lin Xian-Fu.Construction of Ordered Films of Horseradish Peroxidase through Lectin-glycogenReaction and Its Application in Enzyme Electrode[J]. Acta Phys. -Chim. Sin., 2004,20(02): 216-220
152. Wang Shi-Zhong.High Performance Fuel Cells Based on LaGaO3 Electrolytes[J]. Acta Phys. -Chim. Sin., 2004,20(01): 43-46
153. Zhang Nai-Dong;Li Ning;Peng Yong-Zhen.Preparation and Properties of Ti/ Sn、Sb Oxide Electrode by the Paste-coating Method[J]. Acta Phys. -Chim. Sin., 2003,19(12): 1154-1158
154. Zhao Li-Li;Wang Rong-Shu.Preparation of MnO2(Li) and Its Ion Exchange Kinetics[J]. Acta Phys. -Chim. Sin., 2003,19(10): 933-937
155. Wang Shi-Zhong;Ishihara Tatsumi.Improvement of the Performance of Fuel Cells Anodes with Sm3+ Doped CeO2 Interlayer[J]. Acta Phys. -Chim. Sin., 2003,19(09): 849-853
156. Chen Lei;Deng Feng;Ye Chao-Hui.27Al Multiple Quantum MAS NMR Study on the Distribution of Aluminium in the Zeolite MCM-22[J]. Acta Phys. -Chim. Sin., 2003,19(09): 805-809
157. Wang Shi-Zhong;Ishihara Tatsumi.Improvement of the Performance of Fuel Cells Anodes with Sm3+ Doped CeO2[J]. Acta Phys. -Chim. Sin., 2003,19(09): 844-848
158. Tang Zhi-Yuan;Song Shi-Dong;Liu Jian-Hua;Pan Li-Zhu;Nan Jun-Min.Electrochemical Properties of La1-xSrxNi1-yCoyO3 Bifunctional Oxygen Electrodes[J]. Acta Phys. -Chim. Sin., 2003,19(09): 785-790
159. Liang Xin-Yi;Zhang Li-Ming;Ding Hong-Yuan;Qin Yong-Ning.Supported Catalyst LaCoO3/γ-Al2O3 Prepared by Impregnating under Ultrasound[J]. Acta Phys. -Chim. Sin., 2003,19(07): 666-669
160. Li Yang-Mei;Chen Zhi-Chun;Lü De-Shui;Lin Xian-Fu.Topography and Electro-catalysis Property of Horseradish Peroxidase Assembly Active Films[J]. Acta Phys. -Chim. Sin., 2003,19(05): 474-477
161. Liang Jian;Huang Hui-Zhong;Xie You-Chang.The Phases of ZrO2-Al2O3 Composites with High Specific Surface Prepared by Co-precipitation[J]. Acta Phys. -Chim. Sin., 2003,19(01): 30-34
162. Chen Wen-Kai;Xu Jiao;Zhang Yong-Fan;Zhou Li-Xin;Li Jun-Qian.A Theoretical Study on the Proton Transfer in 2-hydroxy Pyridine[J]. Acta Phys. -Chim. Sin., 2002,18(09): 802-807
163. Wang Xiao-Feng;Wang Da-Zhi;Liang Ji;Liu Qing-Guo.Electrochemical Performance of RuO2/Active Carbon Composite Electrodes[J]. Acta Phys. -Chim. Sin., 2002,18(08): 750-753
164. Mo Yi;Li Le-Min.Study on High Accurate Quantum Chemical Calculations Carried Out in a Local Region of a System[J]. Acta Phys. -Chim. Sin., 2002,18(08): 716-720
165. Fu Tie-Xiang;Cao Jun;Tang Yue-Qun;Huang Dao-Chang;Li He-Ping.Synthesis and Properties of Polynuclear Complex of Co(Ⅱ) with 2,2’-bipyridine-1,1’-Dioxide[J]. Acta Phys. -Chim. Sin., 2002,18(06): 563-566
166. Liang Xin-Yi;Ma Zhi;Bai Zheng-Chen;Qin Yong-Ning.Properties and Sonochemical Preparation of Nanostructured LaNiO3[J]. Acta Phys. -Chim. Sin., 2002,18(06): 567-571
167. Xia Shu-ei;Sui Wei-ing;Chen Guo-hua;Xia Shao-u.Theoretical Studies on the Structures and the Vibration Spectra of Carboxymethylchitosan and Its Derivatives[J]. Acta Phys. -Chim. Sin., 2002,18(03): 248-252
168. 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
169. Wang Yong-Cheng;Geng Zhi-Yuan;Chen Hong-Shan.A Density Functional Method(DFT) Study on the Cyclic Reaction Kinetics[J]. Acta Phys. -Chim. Sin., 2002,18(01): 45-49
170. Zhong Shun-He;Chen Song-Zhe;Xin Xiu-Lan.Laser Stimulated Surface Reaction of C2H4 on Nickel Sulfate[J]. Acta Phys. -Chim. Sin., 2001,17(10): 936-939
171. Xue Jun;Zhu Jian-Hua;Shen Bin;Ma Li-Li.Investigation on Catalytic Decomposition of N-nitrosamines over Zeolites[J]. Acta Phys. -Chim. Sin., 2001,17(08): 696-701
172. Wei Ji-Ying;Zhu Yue-Xiang;Xie You-Chang.Preparation of Tin Dioxide Powder with High Specific Surface Area and Stability at High Temperature[J]. Acta Phys. -Chim. Sin., 2001,17(07): 577-581
173. Liu Gou-Sheng;Song Xing-Fu;Yu Jian-Guo;Qian Xu-Hong.Theoretical Study on the Reaction Mechanism of H2O2 with N2O[J]. Acta Phys. -Chim. Sin., 2001,17(06): 491-495
174. Zhao Feng;Liu Ying-Jun;Li Neng;Lin Bing-Xiong.CO-NO Reaction over ABO2 Complex Oxides with Dalofossite Structure[J]. Acta Phys. -Chim. Sin., 2001,17(06): 511-515
175. Nan Xiao-Lin;Zhang Jin;Liu Zhong-Fan;Shi Zu-Jin;Gu Zhen-Nan.Patterned Assembly of Shortened SingleWalled Carbon Nanotubes on Gold Surface[J]. Acta Phys. -Chim. Sin., 2001,17(05): 393-396
176. Tao Yue-Wu;Zhong Shun-He.Laser Stimulated Isobutane Selective Oxidation Reaction on the Surface of Li and Bi Mixed Phosphate[J]. Acta Phys. -Chim. Sin., 2001,17(04): 356-360
177. 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
178. Zhai Gao-Hong;Wang Hui;Yang Hai-Feng;Ran Xin-Quan;Wang Yu-Bin;Wen Zhen-Yi.Pyrolysis Mechanism of Cyclohexane[J]. Acta Phys. -Chim. Sin., 2001,17(04): 348-355
179. Chen Yuan-Mei;Huang Yuan-He;Liu Ruo-Zhuang.Intermolecular Electron-phonon Coupling in One-dimensional C36 Polymers[J]. Acta Phys. -Chim. Sin., 2001,17(03): 196-200
180. Xue Meng-Wei, Zhang Zheng-Lin, Fan Yi-Ning, Chen Yi.Structure and Catalytic Selective Oxidation Activity of the Ultrafine Co-Ce-O Oxide Particle Catalysts[J]. Acta Phys. -Chim. Sin., 2000,16(11): 1028-1034
181. Lu Zi-gui, Jiang Yi, Yan Jing-Wang, Dong Yong-Lai, Zhang Yi-Huang.Preparation and Structure and Performance Examination of Double-layer LSM/LSM+YSZ Composite Electrodes[J]. Acta Phys. -Chim. Sin., 2000,16(10): 941-947
182. Hou Ting-Jun, Li You-Yong, He Yuan-Kang, Chen Hui-Ying, Xu Xiao-Jie.Substituent Effect on the Geometrical Structures and Electronic Properties of Benzonitrile Oligobenzonitriles[J]. Acta Phys. -Chim. Sin., 2000,16(10): 886-891
183. Fu Xu-Chun, Yu Qing-Sen, Liang Wen-Quan.Calculation of Hydrogen-Bond Basicity by Artificial Neural Network Method[J]. Acta Phys. -Chim. Sin., 2000,16(09): 844-849
184. Zhong Shun-He, Gao Feng, Ye Xiu-Qiang, Xiao Xiu-Fen.Study on Laser Stimulated Surface Reaction of Methanol Oxidative Coupling[J]. Acta Phys. -Chim. Sin., 2000,16(07): 601-607
185. Yang Hui, Huang Zhi-Zhong, Jiang Hui-Jun, Zhou Jia-Hong, Lu Tian-Hong, Wang Feng-Bin, Xing Wei.Electrocatalytic Reduction of O2 and H2O2 at the Glass Carbon Electrode Modified with Microperoxidase-11[J]. Acta Phys. -Chim. Sin., 2000,16(06): 527-532
186. Wang Wei, Lin Guo-Dong, Zhang Hong-Bin, Xiong Zhi-Tao.Ag/La0.6Sr0.4MnO3 Catalysts for Deep Oxidation of CH4 and CH3OH at Low Concentrations[J]. Acta Phys. -Chim. Sin., 2000,16(04): 299-306
187. Zhong Shun-He, Li Han-Sehng, Wang Jian-Wei, Xiao Xiu-Fen.Cu-Ni/V2O5-SiO2 Catalyst for the Direct Synthesis of Dimethyl Carbonate from Carbon Dioxide and Methanol[J]. Acta Phys. -Chim. Sin., 2000,16(03): 226-231
188. Bian Guo-Zhu, Han Bo, Fu Yi-Lu.Sol-gel Method Preparation and Characterization of NiMoO4 Ultrafine Particle Catalyst[J]. Acta Phys. -Chim. Sin., 1999,15(11): 1001-1004
189. 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
190. Miao Fang-Ming, Fan Zhi, Zhou Wei-Hong, Qi Li-Ning, Li Ai-Xiu, Liu Xiao-Lan.Synthesis and Crystal Structure and Quantum Chemistry of Tris(2-benzimidazylmethyl)amine with Manganese(II)[J]. Acta Phys. -Chim. Sin., 1999,15(09): 775-782
191. Sun Ming, Li Wei-Zhong, Yu Ming, Wang Jin-Ling, Miao Fang-Ming, I Basnak, T A Hamor, R T Walker.A Quantum and Docking Study of Substituted Deoxyurdines[J]. Acta Phys. -Chim. Sin., 1999,15(09): 834-837
192. Yan Jing-Feng, Wu Nian-Zu, Zhang Hong-Xia, Xie You-Chang, Tang You-Qi, Zhu Yong-Fa, Yao Wen-Qing.Study of MoO3 Surface Diffusion on the Al2O3 Film[J]. Acta Phys. -Chim. Sin., 1999,15(08): 684-687
193. Ji Shi-Shan, Li Zeng-Xi, Tan Rui-Qin, Chen Zhi-Hua, Cao Li-Li.The Study of the Oxygen Nonstoichiometry in Oxide SrCoO3-δ[J]. Acta Phys. -Chim. Sin., 1999,15(07): 624-628
194. Liu Yu, Yang Xiang-Guang, Liu Yu-Min, Wu Yue.Study on the Synthesis of Mixed Oxide La2CuO4 and the Effect on the Catalytic Activity to Catalytic Removal of NO[J]. Acta Phys. -Chim. Sin., 1999,15(06): 506-511
195. Shangguan Rong-Chang, Ge Xin, Zhang Hui-Liang.Natures of Oxygen Species on the Surfaces of Ce-Mo Oxides and Catalytic Activities for the Selective Oxidation of Toluene[J]. Acta Phys. -Chim. Sin., 1999,15(06): 568-572
196. Hu Rui-Sheng, Duan Yi-Wen, Shen Yue-Nian, Jia Mei-Lin.Effects of Adding Various Complexing Agents on the Formation of Single Phase LaFeO3[J]. Acta Phys. -Chim. Sin., 1999,15(06): 541-544
197. Wu Li-Ming, Huang Zun-Xing, Li Jun-Jian, Chen Hong, Zhang Yong-Fan, Zhou Li-Xin.Stduies of Distortion of [Pd(en)2Pd(en)2X2]4+n(X=Cl,Br,I) Chain[J]. Acta Phys. -Chim. Sin., 1999,15(06): 481-487
198. Liu Ying-Liang, Feng De-Xiong, Yang Pei-Hui, Shi Chun-Shan.Valence Stability and Change of Eu(II)in Oxides[J]. Acta Phys. -Chim. Sin., 1999,15(05): 426-430
199. Cai Yong, Zhu Xi-Wen, Yan Min, Chen Yong-Tai, Gao Ke-Lin.Chemical Reactions of Transition-metals with CO[J]. Acta Phys. -Chim. Sin., 1999,15(02): 162-166
200. Zhang Ji-Jun, Liu Ying-Jun, Li Neng, Lin Bing-Xiong.Synergistic Effect between CuO and CeO2 for CO Oxidation[J]. Acta Phys. -Chim. Sin., 1999,15(01): 15-21
201. Ma Zhi, Qin Yong-Ning, Qi Xiao-Zhou, Liang Zhen-Cheng, He Fei.Studies on Prepartion and CO Oxidation Activity of LaSrBO4 Compound[J]. Acta Phys. -Chim. Sin., 1998,14(05): 453-457
202. Li Wen-Zhong, Miao Fang-Ming.Solvation Interaction and Stability of Modified Superoxide Dismutase[J]. Acta Phys. -Chim. Sin., 1998,14(04): 289-292
203. Zhang Ying, Xu Hai-Bo.CO Chemisorption on Disordered Binary Alloy[J]. Acta Phys. -Chim. Sin., 1998,14(01): 68-72
204. Sun Zheng, Zheng Shi-Jun, Meng Ling-Peng, Qiao Chun-Hua, Wang Dian-Xun.Hel Photoelectron Spectroscopical and Theoretical Studies of the Electronic Structure and Molecular Obital Character in some Alkyl Thioether Compounds[J]. Acta Phys. -Chim. Sin., 1998,14(01): 78-83
205. Lv Xin,Xu Xin,Wang Nan-Qin,Liao Meng-Sheng,Zhang Qian-Er.Cluster Modelling of CO Chemisorption on Cu/ZnO[J]. Acta Phys. -Chim. Sin., 1997,13(11): 1005-1009
206. Wang Shi-Zhong,Jiang Yi,Li Wen-Zhao,Yan Jing-Wang.Kinetics of Electrochemical Reduction of Oxygen on the La0.8Sr0.2MnO3/YSZ Electrode[J]. Acta Phys. -Chim. Sin., 1997,13(08): 717-724
207. Zhao Zhen,Yang Xiang-Guang,Wu Yue.Study on the Adsorption and Activation of NO and CO over Mixed Oxide Catalysts Containing Cu by Means of TPSR[J]. Acta Phys. -Chim. Sin., 1997,13(04): 344-350
208. Zhao Liang-Zhong,Xie Min,Liu Shi-Hong,Chen Ben-Ming.Investigation of the Anodic Electrocrystallization of Superconductor Ba-K-Bi-O from Molten Salts[J]. Acta Phys. -Chim. Sin., 1996,12(12): 1094-1097
209. Liu Chi-Biao,Zhao Zhen,Yang Xiang-Guang,Ye Xing-Kai,Wu Yue.Investigation of Catalysis of Y-Ba-Cu-O Mixed Oxides in Phenol Hydroxylation[J]. Acta Phys. -Chim. Sin., 1996,12(11): 1044-1048
210. Zheng Wen-Xia,Wang Ze-Xin.Effect of the Ni(115) Step Surface for the Chemical Kinetics of Hydrogen Atom and Molecule on the Surface[J]. Acta Phys. -Chim. Sin., 1996,12(10): 910-915
211. Wang Rui,Jin Xin-Yu,Cheng Kang-Sheng,Liang Su-Zhen.Study of Organic Silicon Protection Film by Magnetic-Controlling Plasma Polymerization on the Y-Ba-Cu-O Superconductor[J]. Acta Phys. -Chim. Sin., 1996,12(09): 769-772
212. Kuang Wen-Xing,Fan Yi-Ning,Chen Kai-Dong,Chen Yi.Preparation of La-Mo Series Complex Oxide Ultrafine Particle Catalysts by Sol-gel Method[J]. Acta Phys. -Chim. Sin., 1996,12(09): 861-863
213. Yu Jia-Kang,Dong Jun-Hua,Cao Chu-Nan,Lin Hai-Chao.SERS and Quantum Chemistry Studies of Adsorption of Thiourea and Ethylthiourea on Silver Electrode[J]. Acta Phys. -Chim. Sin., 1996,12(09): 856-860
214. Li Xu-Yuan,Zhang Zi-Ping,Ma Jian-Tai,Zhu Zong-Zhen,Meng Yi-Min.The Catalytic Activity for CO Oxidation and Characterization of Perovskite-type Oxides Catalysts La1+X/2Sr1-x/2Co1-xCuxO3[J]. Acta Phys. -Chim. Sin., 1996,12(06): 502-507
215. Cao Rong,Hou Zhen-Shan,Zhao Hong,He Di-Jing,Chen Wen-Hai.Propane Aromatization over Pt-Ga/HZSM-5 Catalyst[J]. Acta Phys. -Chim. Sin., 1996,12(02): 114-118
216. Li Xin-Sheng,Sheng Shi-Shan,Chen Heng-Rong,Ji Chun-Xin,Zhang Yao-Jun,Xin Qin.Reduction Effects of the Passivated Mo2N Studied by XPS and H2 Chemisorption[J]. Acta Phys. -Chim. Sin., 1995,11(08): 678-680
217. Yang Xiang-Guang,Liu She-Tian,Ye Xing-Kai,Wu Yue,Sheng Shi-Shan,Xiong Guo-Xing.X-Ray Photoelectron Spectroscopy Study of LaMn1-xFexO3(x=0-1) Oxides[J]. Acta Phys. -Chim. Sin., 1995,11(08): 681-687
218. Kang Qing-Hua,Zhong Shun-He.Mechanism of Laser Stimulated Surface Reaction of Ethanol Oxidative Coupling to 1,4-Butanediol[J]. Acta Phys. -Chim. Sin., 1995,11(06): 498-503
219. Li Jun, Li Xin-Sheng, Zhou Jian-Lue, Xin Qin, Zhang Hui, Chen Yao-Qiang, Chen Yu.Co or/and NO Adsorption on Reduced Rh2/SiO2 and Rh2-V/SiO2 Catalysts Characterized by Infrared Spectroscopy[J]. Acta Phys. -Chim. Sin., 1995,11(05): 401-406
220. Lin Meng-Hai, Liu zhao-Yang, Zheng Lan-Sun.Structure Analysis of AgP+n and AumP+n Generated by Laser Plasma Reactions[J]. Acta Phys. -Chim. Sin., 1995,11(03): 266-269
221. Yin Yuan-Qi, Li Wen, Wang Han-Qing.Electronic Structures and Related Chemical Properties of Clusters Co6(μ3-E)8(CO)6(E:-S,-Se)[J]. Acta Phys. -Chim. Sin., 1995,11(02): 151-156
222. Zhou Ren-Xian, Zhou Lie-Hua, Zhu Bo, Zheng Xiao-Ming, Lv Guang-Lie.Effect of ZrO2 on Support Structure and Surface Oxygen Property of Pd/Al2O3[J]. Acta Phys. -Chim. Sin., 1995,11(01): 20-25
223. Li Xin-Sheng, Xin Qin, Zhang Hui, Li Jun, Zhou Jian-Lue, Chen Yao-Qiang, Chen Yu.Characterization of CO and/or NO Adsorbed on Reduced Rh-V/SiO2 Catalyst by Infraed Spectroscopy[J]. Acta Phys. -Chim. Sin., 1994,10(11): 1009-1014
224. Zhao Liang-Zhong.An Empirical Criterion for Superconductivity of Oxides[J]. Acta Phys. -Chim. Sin., 1994,10(09): 809-812
225. Zhao Zhen, Yuan Song-Yue, Yu Zuo-Long.Role of Lithium in Multicomponent Oxide Catalysts for Oxidative Coupling of Methane[J]. Acta Phys. -Chim. Sin., 1994,10(07): 616-622
226. Zhao Zhen, Yuan Song-Yue, Yu Zuo-Long.Study of Methane Oxidative Coupling over Ti-La-Li Mixed Oxides[J]. Acta Phys. -Chim. Sin., 1994,10(04): 324-329
227. Pu Zong, Zhou Wei-Fang.Effect of VA Elements on the Semiconducting Properties of the Anodic Plumbous Oxide Flim(II)[J]. Acta Phys. -Chim. Sin., 1994,10(04): 348-353
228. Pu Cong, Zhou Wei-Fang.Effect of VA Elements on the Semiconducting Properties of the Anodic Plumbous Oxide Film (I)[J]. Acta Phys. -Chim. Sin., 1994,10(03): 260-265
229. Lian Hong-Shou, Ding Xiao-Qin, Chen Chang-Ying, Li Yu-Lin, Chen Ji-Sheng, Luo Yu, Xu Xiao-Jie.Studies on Some Marine Toxins (TTX、STX) Binding to Sodium Channel[J]. Acta Phys. -Chim. Sin., 1994,10(02): 141-144
230. Huang Rong-Bin; Su Zhao-Hui; Zheng Lan-Sun; Wang Yong-Jun; Qin Qi-Zong.Laser Plasma Mass Spectrometry of YBa2Cu3O7-x Superconducting Sample[J]. Acta Phys. -Chim. Sin., 1993,9(06): 823-826
231. Deng Jun-Zhuo; Wang Hong-Li.Adsoption History Dependence of the State of Chemisorbed CO on Fe(110)[J]. Acta Phys. -Chim. Sin., 1993,9(05): 589-593
232. Wang De-Min; Zhan Tao; Shi Ping; Zhu Min-Hui; Ye Xue-Qi.Simulation of Crystal Structure of Bismuth System Superconductor by Emprical Potential Energy Function[J]. Acta Phys. -Chim. Sin., 1993,9(05): 584-588
233. Wang Dian-Xun; Zheng Shi-Jun; Xu Guang-Zhi.Gas Phase Ultraviolet Photoelctron Spectroscopy and Theoretical Calculations of Piperazine-2,5-Dione Molecule[J]. Acta Phys. -Chim. Sin., 1993,9(04): 484-488
234. Zhao Liang-Zhong.Determination of O1s Binding Energies of the Alkaline Earth Oxides and Peroxide[J]. Acta Phys. -Chim. Sin., 1993,9(02): 170-174
235. Li Xin-Sheng; Hou Zhen-Shan; Xin Qin; Guo Xie-Xian.Characterization of Promotions of Cobalt and Ruthenium in Sulfided Catalysis for Hydrodesulfurization[J]. Acta Phys. -Chim. Sin., 1993,9(01): 63-69
236. Shao Shu-Min; Xi Guang-Kang; Wang Jun-Rong; Li Sheng-Lin; Yang Xue-Zhu; Wang Jin-He; Zhou Zhi-Qiang; He Tian-Xi; Yu Bao-Xia.Activated Chemisorption of CH4 On Ni Surface and La Film[J]. Acta Phys. -Chim. Sin., 1992,8(06): 767-771
237. Lu Hua-Yi; Guo Chun-Tai; Zhao Lian-Shan; Tang Ding-Xiang; Wang Fen.Surface Tension and Density of NaCl-NaF-RE2O3 Melts[J]. Acta Phys. -Chim. Sin., 1992,8(05): 694-696
238. Liu Hong-Lin; Cao Yi-Lin; Chen Nian-Yi.The Absorption Peaks of Sodium Aluminate Solutions[J]. Acta Phys. -Chim. Sin., 1992,8(04): 441-444
239. Wu Hui-Huang; Wu Bao-Zhang; Zhou Shao-Min.Electrochemistry and XPS of Palladium Oxides[J]. Acta Phys. -Chim. Sin., 1992,8(04): 519-522
240. Zhuo Ji-Cang; Hu Jia-Ping; Wang Kui.Conformation Change of Bilirubin as the Action of it on Bile Salts[J]. Acta Phys. -Chim. Sin., 1992,8(03): 332-338
241. Deng Xiang-Yang; Liu Dan-Chu.The Study on Surface Site of Catalyst for CO Hydrogenation with the Transient Analysis[J]. Acta Phys. -Chim. Sin., 1992,8(02): 212-217
242. Chen Chang-Guo; Lin Hui-Qiong; Huang Zong-Qing.Formation and Transformation of the Oxides on Silver Electrode[J]. Acta Phys. -Chim. Sin., 1992,8(01): 1-3
243. Zhao Liang-Zhong.The Chemical Interaction of YBCO High-Tc Superconductor with Oxide Substrate Materials[J]. Acta Phys. -Chim. Sin., 1991,7(06): 648-650
244. Li Xin-Sheng; Hou Zhen-Shan; Wei Zhao-Bin; Xin Qin.Study on Promotion of Cobalt and Ruthenium in Reduced Catalysts for Hydrodesulfurization by IR-Spectroscopy and Chemisorption[J]. Acta Phys. -Chim. Sin., 1991,7(06): 673-680
245. NIE Wang-Xin, ZOU Xiu-Jing, WANG Xue-Guang, DING Wei-Zhong, LU Xiong-Gang.Preparation of Highly-Dispersed Ni-Ce-Zr Oxides over Mesoporous γ-Alumina and Their Catalytic Properties for CO2 Methanation[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
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