According to the SCI data, articles in this list are the most frequently cited ones among those published in Acta Physico-Chimica Sinica in 2014-2017

1 Recent Advances in Morphology Control and Surface Modification of Bi-Based Photocatalysts HE Rong-An, CAO Shao-Wen, YU Jia-Guo 2016, 32 (12), 2841–2870. doi: 10.3866/PKU.WHXB201611021

2 Hirshfeld Charge as a Quantitative Measure of Electrophilicity and Nucleophilicity: Nitrogen-Containing Systems ZHOU Xia-Yu, RONG Chun-Ying, LU Tian, LIU Shu-Bin 2014, 30 (11), 2055–2062. doi: 10.3866/PKU.WHXB201409193

3 Information-Theoretic Approach in Density Functional Reactivity Theory LIU Shu-Bin 2016, 32 (1), 98–118. doi: 10.3866/PKU.WHXB201510302

4 Comparing Methods for Predicting the Reactive Site of Electrophilic Substitution FU Rong, LU Tian, CHEN Fei-Wu 2014, 30 (4), 628–639. doi: 10.3866/PKU.WHXB201401211

5 Temperature Dependant Mixed Micellization Behavior of a Drug-AOT Mixture in an Aqueous Medium RUB Malik Abdul, ASIRI Abdullah M, KUMAR Dileep, AZUM Naved, KHAN Farah 2014, 30 (4), 699–707. doi: 10.3866/PKU.WHXB201402112

6 Rényi Entropy, Tsallis Entropy and Onicescu Information Energy in Density Functional Reactivity Theory LIU Shu-Bin, RONG Chun-Ying, WU Ze-Min, LU Tian 2015, 31 (11), 2057–2063. doi: 10.3866/PKU.WHXB201509183

7 Magnesium Terephthalate as an Organic Anode Material for Sodium Ion Batteries HUANG Zong-Ling, WANG Li-Ping, MOU Cheng-Xu, LI Jing-Ze 2014, 30 (10), 1787–1793. doi: 10.3866/PKU.WHXB201408052 8 Fabrication and Photovoltaic Performance of High Efficiency Front-Illuminated Dye-Sensitized Solar Cell Based on Ordered TiO2Nanotube Arrays GAO Su-Wen, LAN Zhang, WU Wan-Xia, QUE Lan-Fang, WU Ji-Huai, LIN Jian-Ming, HUANG Miao-Liang 2014, 30 (3), 446–452. doi: 10.3866/PKU.WHXB201401022

9 Recent Developments in Cathode Materials for Na Ion Batteries FANG Yong-Jin, CHEN Zhong-Xue, AI Xin-Ping, YANG Han-Xi, CAO Yu-Liang 2017, 33 (1), 211–241. doi: 10.3866/PKU.WHXB201610111

10 First-Principles Calculations of the Electronic Structure and Optical Properties of Y-Cu Co-Doped ZnO YUAN Jun-Hui, GAO Bo, WANG Wen, WANG Jia-Fu 2015, 31 (7), 1302–1308. doi: 10.3866/PKU.WHXB201505081

11 Progress in Visible-Light Photocatalytic Hydrogen Production by Dye Sensitization LIU Xing, LI Yue-Xiang, PENG Shao-Qin, LAI Hua 2015, 31 (4), 612–626. doi: 10.3866/PKU.WHXB201502041

12 Effect of the Hydrothermal Reaction Temperature on Three-Dimensional Reduced Graphene Oxide’s Appearance, Structure and Super Capacitor Performance WANG Jian-De, PENG Tong-Jiang, SUN Hong-Juan, HOU Yun-Dan 2014, 30 (11), 2077–2084. doi: 10.3866/PKU.WHXB201409152

13 Preparation and Electrochemical Properties of Functionalized Graphene/Polyaniline Composite Electrode Materials WANG Li-Li, XING Rui-Guang, ZHANG Bang-Wen, HOU Yuan 2014, 30 (9), 1659–1666. doi: 10.3866/PKU.WHXB201406162

14 Synthesis, Regeneration and Photocatalytic Activity under Visible-Light Irradiation of Ag/Ag3PO4/g-C3N4Hybrid Photocatalysts LIU Jian-Xin, WANG Yun-Fang, WANG Ya-Wen, FAN Cai-Mei 2014, 30 (4), 729–737. doi: 10.3866/PKU.WHXB201402243

15 Pd Nanoparticles Deposited on Metal-Organic Framework of MIL-53(Al)：an Active Catalyst for CO Oxidation LIANG Qian, ZHAO Zhen, LIU Jian, WEI Yue-Chang, JIANG Gui-Yuan, DUAN Ai-Jun 2014, 30 (1), 129–134. doi: 10.3866/PKU.WHXB201311201

16 Characterization of pH Effect on Corrosion Resistance of Nuclear Steam Generator Tubing Alloy by In-situ Scanning Electrochemical Microscopy LUO Bing, XIA Da-Hai 2014, 30 (1), 59–66. doi: 10.3866/PKU.WHXB201311221

17 Synthesis of g-C3N4/BiVO4Nanocomposite Photocatalyst and Its Application in Photocatalytic Reduction of CO2HUANG Yan, FU Min, HE Tao 2015, 31 (6), 1145–1152. doi: 10.3866/PKU.WHXB201504015

18 Electrochemical Behavior of Dy(III) and the Selective Formation of Dy-Ni Intermetallic Compounds in LiCl-KCl Eutectic Melts LI Mei, SUN Ting-Ting, LIU Bin, HAN Wei, SUN Yang, ZHANG Mi-Lin 2015, 31 (2), 309–314. doi: 10.3866/PKU.WHXB201412182

19 Synthesis of Ag3PO4/BiVO4Composite Photocatalyst and Its Photocatalytic Degradation of Dyes under Visible Light Irradiation GE Ming, TAN Mian-Mian, CUI Guang-Hua 2014, 30 (11), 2107–2112. doi: 10.3866/PKU.WHXB201409041

20 Study of Total Internal Reflection SERS Based on Self-Assembled Gold Nanoparticle Monolayer Film ZHAO Qiao, LU Dan-Feng, LIU De-Long, CHEN Chen, HU De-Bo, QI Zhi-Mei 2014, 30 (7), 1201–1207. doi: 10.3866/PKU.WHXB201405191

21 Progress of White Organic Light-Emitting Diodes LIU Bai-Quan, GAO Dong-Yu, WANG Jian-Bin, WANG Xi, WANG Lei, ZOU Jian-Hua, NING Hong-Long, PENG Jun-Biao 2015, 31 (10), 1823–1852. doi: 10.3866/PKU.WHXB201506192

22 Preparation of Manganese Oxides Supported on Graphene Catalysts and Their Activity in Low-Temperature NH3-SCR JIAO Jin-Zhen, LI Shi-Hui, HUANG Bi-Chun 2015, 31 (7), 1383–1390. doi: 10.3866/PKU.WHXB201504292

23 Construction of Autoignition Mechanisms for the Combustion of RP-3 Surrogate Fuel and Kinetics Simulation XU Jia-Qi, GUO Jun-Jiang, LIU Ai-Ke, WANG Jian-Li, TAN Ning-Xin, LI Xiang-Yuan 2015, 31 (4), 643–652. doi: 10.3866/PKU.WHXB201503022

24 CH4, CO2and H2O Adsorption on Nonmetallic Atom-Decorated Graphene Surfaces LIU Xiao-Qiang, TIAN Zhi-Yue, CHU Wei, XUE Ying 2014, 30 (2), 251–256. doi: 10.3866/PKU.WHXB201312243

25 Correlation between Galvanic Corrosion and Electronic Work Function of Al Alloy Surfaces WANG Jian, WANG Shao-Qing 2014, 30 (3), 551–558. doi: 10.3866/PKU.WHXB201312272

26 Structure of 2D Graphdiyne and Its Application in Energy Fields HUANG Chang-Shui, LI Yu-Liang 2016, 32 (6), 1314–1329. doi: 10.3866/PKU.WHXB201605035

27 Progress in Quantum Dot-Sensitized Solar Cells WEI Hui-Yun, WANG Guo-Shuai, WU Hui-Jue, LUO Yan-Hong, LI Dong-Mei, MENG Qing-Bo 2016, 32 (1), 201–213. doi: 10.3866/PKU.WHXB201512031

28 Conversion of Cellulose to Butyl Levulinate in Bio-Butanol Medium Catalyzed by Acidic Ionic Liquids MA Hao, LONG Jin-Xing, WANG Fu-Rong, WANG Le-Fu, LI Xue-Hui 2015, 31 (5), 973–979. doi: 10.3866/PKU.WHXB201503171

29 RP-3 Aviation Kerosene Surrogate Fuel and the Chemical Reaction Kinetic Model ZHENG Dong, YU Wei-Ming, ZHONG Bei-Jing 2015, 31 (4), 636–642. doi: 10.3866/PKU.WHXB201501231

30 Corrosion Behavior of Alloy 690 in Simulated Alkaline Water Chemistries Containing Sulfur at 300 °C XIA Da-Hai, LUO Jing-Li 2015, 31 (3), 467–475. doi: 10.3866/PKU.WHXB201501053

31 Terahertz Spectroscopic Analysis of Adenine and Fumaric Acid Cocrystals FANG Hong-Xia, ZHANG Qi, ZHANG Hui-Li, DU Yong, HONG Zhi 2015, 31 (2), 221–226. doi: 10.3866/PKU.WHXB201412232

32 Fluorescence Spectra of Polycyclic Aromatic Hydrocarbons and Soot Concentration in Partially Premixed Flames of Diesel Surrogate Containing Oxygenated Additives ZHANG Peng, LIU Hai-Feng, CHEN Bei-Ling, TANG Qing-Long, YAO Ming-Fa 2015, 31 (1), 32–40. doi: 10.3866/PKU.WHXB201411051

33 Structural Properties and Low-Temperature SCR Activity of Zirconium-Modified MnOx/MWCNTs Catalysts YANG Chao, LIU Xiao-Qing, HUANG Bi-Chun, WU You-Ming 2014, 30 (10), 1895–1902. doi: 10.3866/PKU.WHXB201407162

34 One-Step Hydrothermal Preparation and Electrochemical Performance of Graphene/Sulfur Cathode Composites LI Qing-Zhou, LI Yu-Hui, LI Ya-Juan, LIU You-Nian 2014, 30 (8), 1474–1480. doi: 10.3866/PKU.WHXB201406041

35 Synthesis and Modification of a Lamellar Co3O4Anode for Lithium-Ion Batteries HUANG Guo-Yong, XU Sheng-Ming, LI Lin-Yan, WANG Xue-Jun, LU Sha-Sha 2014, 30 (6), 1121–1126. doi: 10.3866/PKU.WHXB201404221

36 Effect of Sintering Temperature on the Photocatalytic Activity of Flower-Like Bi2WO6SHENG Jia-Yi, LI Xiao-Jin, XU Yi-Ming 2014, 30 (3), 508–512. doi: 10.3866/PKU.WHXB201312302

37 Effects of Separator on the Electrochemical Performance of Electrical Double-Layer Capacitor and Hybrid Battery-Supercapacitor SUN Xian-Zhong, ZHANG Xiong, HUANG Bo, MA Yan-Wei 2014, 30 (3), 485–491. doi: 10.3866/PKU.WHXB201401131

38 A Selenium Disulfide-Impregnated Hollow Carbon Sphere Composite as a Cathode Material for Lithium-Ion Batteries LUO Wen, HUANG Lei, GUAN Dou-Dou, HE Ru-Han, LI Feng, MAI Li-Qiang 2016, 32 (8), 1999–2006. doi: 10.3866/PKU.WHXB201605032

39 Structure-Sensitivity of Au Catalysis HUANG Wei-Xin, QIAN Kun, WU Zong-Fang, CHEN Shi-Long 2016, 32 (1), 48–60. doi: 10.3866/PKU.WHXB201511092

40 Density Functional Theory Study of Oxygen Reduction Reaction on Different Types of N-Doped Graphene WANG Jun, LI Li, WEI Zi-Dong 2016, 32 (1), 321–328. doi: 10.3866/PKU.WHXB201512091

41 Properties of Four Deep Eutectic Solvents: Density, Electrical Conductivity, Dynamic Viscosity and Refractive Index SU Hong-Zhen, YIN Jing-Mei, LIU Qing-Shan, LI Chang-Ping 2015, 31 (8), 1468–1473. doi: 10.3866/PKU.WHXB201506111

42 Selective Hydrogenation of Phenylacetylene over Pd-Cu/γ-Al2O3Catalysts WANG Zhan-Qi, ZHOU Zhi-Ming, ZHANG Rui, LI Li, CHENG Zhen-Min 2014, 30 (12), 2315–2322. doi: 10.3866/PKU.WHXB201410152

43 A Mechanistic Study on Semiconductivity Conversion of Passive Films under Varying Sulfate to Chloride Concentration Ratios XIA Da-Hai, YANG Li-Xia 2014, 30 (8), 1465–1473. doi: 10.3866/PKU.WHXB201405211

44 In situ Synthesis of Reduced Graphene Oxide Supported Co Nanoparticles as Efficient Catalysts for Hydrogen Generation from NH3BH3YANG Yu-Wen, FENG Gang, LU Zhang-Hui, HU Na, ZHANG Fei, CHEN Xiang-Shu 2014, 30 (6), 1180–1186. doi: 10.3866/PKU.WHXB201404141

45 Partial Hydrogenation of Benzene to Cyclohexene over Novel Ru-B/MOF Catalysts TAN Xiao-He, ZHOU Gong-Bing, DOU Rong-Fei, PEI Yan, FAN Kang-Nian, QIAO Ming-Hua, SUN Bin, ZONG Bao-Ning 2014, 30 (5), 932–942. doi: 10.3866/PKU.WHXB201403212

46 Preparation, Characterization and Gas Sensing Mechanism of ZnO-Doped SnO2Nanofibers TANG Wei, WANG Jing, YAO Peng-Jun, DU Hai-Ying, SUN Yan-Hui 2014, 30 (4), 781–788. doi: 10.3866/PKU.WHXB201402191

47 Synthesis and Characterization of Boron-Doped SiC for Visible Light Driven Hydrogen Production DONG Li-Li, WANG Ying-Yong, TONG Xi-Li, JIN Guo-Qiang, GUO Xiang-Yun 2014, 30 (1), 135–140. doi: 10.3866/PKU.WHXB201311052

48 Research on Carbon-Based Electrode Materials for Supercapacitors LI Xue-Qin, CHANG Lin, ZHAO Shen-Long, HAO Chang-Long, LU Chen-Guang, ZHU Yi-Hua, TANG Zhi-Yong 2017, 33 (1), 130–148. doi: 10.3866/PKU.WHXB201609012

49 Next-Generation Energy Storage Technologies and Their Key Electrode Materials YANG Ze, ZHANG Wang, SHEN Yue, YUAN Li-Xia, HUANG Yun-Hui 2016, 32 (5), 1062–1071. doi: 10.3866/PKU.WHXB201603231

50 Pyrolysis of Octanitrocubane via Molecular Dynamics Simulations YANG Zhen, HE Yuan-Hang 2016, 32 (4), 921–928. doi: 10.3866/PKU.WHXB201512251

51 Graphene Glass: Direct Growth of Graphene on Traditional Glasses CHEN Xu-Dong, CHEN Zhao-Long, SUN Jing-Yu, ZHANG Yan-Feng, LIU Zhong-Fan 2016, 32 (1), 14–27. doi: 10.3866/PKU.WHXB201511133

52 Sierpiński Trangle Fractal Structures Investigated by STM GU Gao-Chen, LI Na, ZHANG Xue, HOU Shi-Min, WANG Yong-Feng, WU Kai 2016, 32 (1), 195–200. doi: 10.3866/PKU.WHXB201511261

53 Fundamental Processes in Surface Photocatalysis on TiO2GUO Qing, ZHOU Chuan-Yao, MA Zhi-Bo, REN Ze-Feng, FAN Hong-Jun, YANG Xue-Ming 2016, 32 (1), 28–47. doi: 10.3866/PKU.WHXB201512081

54 Recent Advances in Nano-Gold-Catalyzed Green Synthesis and Clean Reactions LI Shu-Shuang, TAO Lei, ZHANG Qi, LIU Yong-Mei, CAO Yong 2016, 32 (1), 61–74. doi: 10.3866/PKU.WHXB201511101

55 Quantum Reaction Dynamics Based on a New Generation Density Functional and Neural Network Potential Energy Surfaces SU Neil-Qiang, CHEN Jun, XU Xin, ZHANG Dong-H.2016, 32 (1), 119–130. doi: 10.3866/PKU.WHXB201512011

56 Excess Spectroscopy: Concept and Applications ZHOU Yu, XU Jing, WANG Nan-Nan, YU Zhi-Wu 2016, 32 (1), 239–248. doi: 10.3866/PKU.WHXB201511241

57 Recent Progress in the Removal of Volatile Organic Compounds by Mesoporous Silica Materials and Supported Catalysts ZHANG Xiao-Dong, WANG Yin, YANG Yi-Qiong, CHEN Dan 2015, 31 (9), 1633–1646. doi: 10.3866/PKU.WHXB201507281

58 Syntheses of ZnO Nano-Arrays and Spike-Shaped CuO/ZnO Heterostructure LI Xiang-Qi, FAN Qing-Fei, LI Guang-Li, HUANG Yao-Han, GAO Zhao, FAN Xi-Mei, ZHANG Chao-Liang, ZHOU Zuo-Wan 2015, 31 (4), 783–792. doi: 10.3866/PKU.WHXB201502062

59 Reaction Activity and Deep Reduction Reaction Mechanism of a High Index Iron Oxide Surface in Chemical Looping Combustion QIN Wu, LIN Chang-Feng, LONG Dong-Teng, XIAO Xian-Bin, DONG Chang-Qing 2015, 31 (4), 667–675. doi: 10.3866/PKU.WHXB201502061

60 Improved Photocatalytic Degradation of Phenol over β-Bi2O3Modified Bi2WO6and Possible Mechanism LI Xiao-Jin, SHENG Jia-Yi, CHEN Hai-Hang, XU Yi-Ming 2015, 31 (3), 540–544. doi: 10.3866/PKU.WHXB201501131

61 Preparation and Photocatalytic Activity of Mixed Phase TiO2-Graphene Composites YU Jian-Hua, FAN Min-Guang, LI Bin, DONG Li-Hui, ZHANG Fei-Yue 2015, 31 (3), 519–526. doi: 10.3866/PKU.WHXB201412291

62 Effect of Substituents on the NMR and UV Spectra of N-(4-substituted benzylidene) Anilines and N-(4-substituted benzylidene) Cyclohexylamines CAO Chao-Tun, WEI Bai-Ying, CAO Chen-Zhong 2015, 31 (2), 204–210. doi: 10.3866/PKU.WHXB201412191

63 Role of Common Promoters in Rh-Based Catalysts for CO Hydrogenation to C2-Oxygenates CHEN Wei-Miao, DING Yun-Jie, XUE Fei, SONG Xian-Gen 2015, 31 (1), 1–10. doi: 10.3866/PKU.WHXB201411054

64 Preparation of NiS-Modified Cd1-xZnxS by a Hydrothermal Method and Its Use for the Efficient Photocatalytic H2Evolution LIN Cai-Fang, CHEN Xiao-Ping, CHEN Shu, SHANGGUAN Wen-Feng 2015, 31 (1), 153–158. doi: 10.3866/PKU.WHXB201411175

65 Preparation and Supercapacitive Performance of Three-Dimensional Reduced Graphene Oxide/Polyaniline Composite WANG Jian-De, PENG Tong-Jiang, XIAN Hai-Yang, SUN Hong-Juan 2015, 31 (1), 90–98. doi: 10.3866/PKU.WHXB201411202

66 Hydrogen-Bonding Interactions between Ionic Liquid 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate and Water SONG Da-Yong, CHEN Jing 2014, 30 (9), 1605–1610. doi: 10.3866/PKU.WHXB201407012

67 Stability and Raman Spectroscopy of Alkane Guest Molecules (CnHm, n ≤ 6, m ≤ 14) in 51262and 51264Water Cavities by Density Functional Theory Calculations CAO Xiao-Xiao, SU Yan, ZHAO Ji-Jun, LIU Chang-Ling, ZHOU Pan-Wang 2014, 30 (8), 1437–1446. doi: 10.3866/PKU.WHXB201405292

68 Synthesis and Electrocatalytic Properties of Pt Nanoparticles on Nitrogen-Doped Reduced Graphene Oxide for Methanol Oxidation WANG Li, MA Jun-Hong 2014, 30 (7), 1267–1273. doi: 10.3866/PKU.WHXB201405052

69 Preparation of Cu/Zn/Al/(Zr)/(Y) Catalysts from Hydrotalcite-Like Precursors and Their Catalytic Performance for the Hydrogenation of CO2to Methanol GAO Peng, LI Feng, ZHAO Ning, WANG Hui, WEI Wei, SUN Yu-Han 2014, 30 (6), 1155–1162. doi: 10.3866/PKU.WHXB201401252

70 Systematic Approach to Automatic Construction of High-Temperature Combustion Mechanisms of Alkanes GUO Jun-Jiang, HUA Xiao-Xiao, WANG Fan, TAN Ning-Xin, LI Xiang-Yuan 2014, 30 (6), 1027–1041. doi: 10.3866/PKU.WHXB201404031

71 Hydrothermal Synthesis and Electrochemical Measurements of Interconnected Porous Carbon/MnO2Composites ZHANG Xuan-Xuan, RAN Fen, FAN Hui-Li, KONG Ling-Bin, KANG Long 2014, 30 (5), 881–890. doi: 10.3866/PKU.WHXB201403061

72 Crystal Structure and Electrochemical Performance of Lithium-Rich Cathode Materials xLi2MnO3·(1-x)LiNi0.5Mn0.5O2(x = 0.1–0.8)CHEN Lai, CHEN Shi, HU Dao-Zhong, SU Yue-Feng, LI Wei-Kang, WANG Zhao, BAO Li-Ying, WU Feng 2014, 30 (3), 467–475. doi: 10.3866/PKU.WHXB201312252

73 Silicon Supported on Stable Si-O-C Skeleton in High-Performance Lithium-Ion Battery Anode Materials WANG Jian-Tao, WANG Yao, HUANG Bin, YANG Juan-Yu, TAN Ao, LU Shi-Gang 2014, 30 (2), 305–310. doi: 10.3866/PKU.WHXB201312022

74 Molecular Dynamics Simulation of Dopamine Diffusion within and Permeation through POPC Phospholipid Bilayer Membrane ZHANG Ji-Wei, BIAN Fu-Yong, SHI Guo-Jun, XU Si-Chuan 2014, 30 (1), 183–193. doi: 10.3866/PKU.WHXB201311281

75 Rational Design Strategies for Polymer Donors for Applications in Non-Fullerene Organic Photovoltaic Cells ZHANG Shao-Qing, HOU Jian-Hui 2017, 33 (12), 2327–2338. doi: 10.3866/PKU.WHXB201706161

76 Advances inWearable and Flexible Conductors Based on Nanocarbon Materials Kai-Lun XIA, Mu-Qiang JIAN, Ying-Ying ZHANG 2016, 32 (10), 2427–2446. doi: 10.3866/PKU.WHXB201607261

77 Recent Advances in the Optimally “Tuned” Range-Separated Density Functional Theory Hai-Tao SUN, Cheng ZHONG, Zhen-Rong SUN 2016, 32 (9), 2197–2208. doi: 10.3866/PKU.WHXB201605301

78 Comparative Study on Catalytic Performance of the Production of 2, 3-Pentanedione from Lactic Acid Condensation over SiO2-Supported Alkali Metal Nitrates Liang-Wei SUN, Xin-Li LI, Cong-Ming TANG 2016, 32 (9), 2327–2336. doi: 10.3866/PKU.WHXB201606225

79 Recent Progress of Non-Noble Metal Catalysts in Water Electrolysis for Hydrogen Production Jin-Fa CHANG, Yao XIAO, Zhao-Yan LUO, Jun-Jie GE, Chang-Peng LIU, Wei XING 2016, 32 (7), 1556–1592. doi: 10.3866/PKU.WHXB201604291

80 Synthesis, Characterization, Thermal Decomposition Mechanism and Properties of the [Eu(4-MOBA)3(terpy)(H2O)]2Complex Jian-Xia HUO, Su-Wei SONG, Cheng-Wei JIN, Ning REN, Li-Na GENG, Jian-Jun ZHANG 2016, 32 (4), 901–906. doi: 10.3866/PKU.WHXB201602173

81 Hollow Pt-Based Nanocatalysts Synthesized through Galvanic Replacement Reaction for Application in Proton Exchange Membrane Fuel Cells Yi YANG, Lai-Ming LUO, Juan-Juan DU, Rong-Hua ZHANG, Zhong-Xu DAI, Xin-Wen ZHOU 2016, 32 (4), 834–847. doi: 10.3866/PKU.WHXB201601211

82 Molecular Dynamics Simulation on the Structure and Thermodynamics of Molten LiCl-KCl-CeCl3Tao JIANG, Ning WANG, Chang-Ming CHENG, Shu-Ming PENG, Liu-Ming YAN 2016, 32 (3), 647–655. doi: 10.3866/PKU.WHXB201601042

83 On the Importance of Surface Reactions on Semiconductor Photocatalysts for Solar Water Splitting Xiao-Xia CHANG, Jin-Long GONG 2016, 32 (1), 2–13. doi: 10.3866/PKU.WHXB201510192

84 In-situ Preparation of Na2Ti3O7Nanosheets as High-Performance Anodes for Sodium Ion Batteries Cheng-Cheng CHEN, Ning ZHANG, Yong-Chang LIU, Yi-Jing WANG, Jun CHEN 2016, 32 (1), 349–355. doi: 10.3866/PKU.WHXB201512073

85 supramolecular Gels: Structural Diversity and supramolecular Chirality Xiu-Feng WANG, Li ZHANG, Ming-Hua LIU 2016, 32 (1), 227–238. doi: 10.3866/PKU.WHXB201511181

86 Thermodynamic Assessment of the MgO-P2O5and CaO-P2O5Systems Guo-Hui. DING, Wei. XIE, In-Ho. JUNG, Zhi-Yu. QIAO, Guang-Wei. DU, Zhan-Min. CAO 2015, 31 (10), 1853–1863. doi: 10.3866/PKU.WHXB201508121

87 Assignment for Vibrational Spectra of BaTiO3Ferroelectric Ceramic Based on the First-Principles Calculation AN Wei, LIU Tian-Hui, WANG Chun-Hai, DIAO Chuan-Ling, LUO Neng-Neng, LIU Yong, QI Ze-Ming, SHAO Tao, WANG Yu-Yin, JIAO Huan,TIAN Guang-Shan, JING Xi-Ping 2015, 31 (6), 1059–1068. doi: 10.3866/PKU.WHXB201504144

88 Polyimide Aerogels Crosslinked with Chemically Modified Graphene Oxide LIANG Yi, LU Yun, YAO Wei-Shang, ZHANG Xue-Tong 2015, 31 (6), 1179–1185. doi: 10.3866/PKU.WHXB201504146

89 Norm Index-Based Quantitative Structure-Activity Relationship to Predict β-Cyclodextrin Complex Binding Constants QIAN Hai-Cheng, KANWAL Shahid, JIA Qing-Zhu, WANG Qiang, JI Hui-Fen, ZHU Zhi-Chen, XIA Shu-Qian, MA Pei-Sheng 2015, 31 (5), 893–898. doi: 10.3866/PKU.WHXB201503193

90 Electrochemical Performances of Reduced Graphene Oxide/Titanium Dioxide Composites for Sodium-Ion Batteries XU Jing, YANG De-Zhi, LIAO Xiao-Zhen, HE Yu-Shi, MA Zi-Feng 2015, 31 (5), 913–919. doi: 10.3866/PKU.WHXB201503162

91 Nonlinear Optical Limiting Properties of Organic Metal Phthalocyanine Compounds CHEN Jun, WANG Shuang-Qing, YANG Guo-Qiang 2015, 31 (4), 595–611. doi: 10.3866/PKU.WHXB201502023

92 Synthesis and Characterization of ZnO/PPy Hetero-Nanocomposites and Their Gas Sensing Properties DU Hai-Ying, WANG Jing, QIAO Qiao, SUN Yan-Hui, SHAO Qiang, LI Xiao-Gan 2015, 31 (4), 800–806. doi: 10.3866/PKU.WHXB201501283

93 Heterogeneous Fenton Oxidation of Refractory Dye Rhodamine B in Aqueous Solution with Mesoporous Fe/SBA-15 HU Long-Xing, XU Dan-Dan, ZOU Lian-Pei, YUAN Hang, HU Xing 2015, 31 (4), 771–782. doi: 10.3866/PKU.WHXB201503023

94 Effect of Branched Cationic and Betaine Surfactants on the Wettability of a Poly(tetrafluoroethylene) Surface YUAN Fu-Qing, LIU Dan-Dan, GUO Lan-Lei, ZHU Yang-Wen, XU Zhi-Cheng, HUANG Jian-Bin, ZHANG Lei, ZHANG Lu 2015, 31 (4), 715–721. doi: 10.3866/PKU.WHXB201503028

95 Molecular Dynamics Simulation of the Separation of CH4/CO2by Nanoporous Graphene WEN Bo-Yao, SUN Cheng-Zhen, BAI Bo-Feng 2015, 31 (2), 261–267. doi: 10.3866/PKU.WHXB201411271

96 Preparation and Supercapacitor Properties of Double-Perovskite La2CoNiO6Inorganic Nanofibers WU Yan-Bo, BI Jun, WEI Bin-Bin 2015, 31 (2), 315–321. doi: 10.3866/PKU.WHXB201412164

97 Adsorption Activities of O, OH, F and Au on Two-Dimensional Ti2C and Ti3C2Surfaces YANG Jian-Hui, ZHANG Shao-Zheng, JI Jia-Lin, WEI Shi-Hao 2015, 31 (2), 369–376. doi: 10.3866/PKU.WHXB201412121

98 Volume and Surface Properties of Aqueous [C5mim][Pro] at 288.15 to 318.15 K LI Chi, YANG Hong-Xu, LIU Ru-Jing, YANG Qi, TONG Jing, YANG Jia-Zhen 2015, 31 (1), 11–16. doi: 10.3866/PKU.WHXB201411063

99 Review of Systems for Photocatalytic Conversion of CO2to Hydrocarbon Fuels LAN Ben-Yue, SHI Hai-Feng 2014, 30 (12), 2177–2196. doi: 10.3866/PKU.WHXB201409303

100 Preparation of Fe-Doped Graphitic Carbon Nitride with Enhanced Visible-Light Photocatalytic Activity JIN Rui-Rui, YOU Ji-Guang, ZHANG Qian, LIU Dan, HU Shao-Zheng, GUI Jian-Zhou 2014, 30 (9), 1706–1712. doi: 10.3866/PKU.WHXB201406272

101 Preparation of Nitrogen-Doped Graphene and Its Electrocatalytic Activity for Oxygen Reduction Reaction PENG San, GUO Hui-Lin, KANG Xiao-Feng 2014, 30 (9), 1778–1786. doi: 10.3866/PKU.WHXB201407112

102 Research Progress in Radiation Effects on Ionic Liquids WANG Shuo-Jue, AO Yin-Yong, ZHOU Han-Yang, YUAN Li-Yong, PENG Jing, ZHAI Mao-Lin 2014, 30 (9), 1597–1604. doi: 10.3866/PKU.WHXB201406271

103 First-Principles Calculations of the Adsorption of Au, Ag and Cu Atoms on Defected Graphene MI Chuan-Tong, LIU Guo-Ping, WANG Jia-Jia, GUO Xin-Li, WU San-Xie, YU Jin 2014, 30 (7), 1230–1238. doi: 10.3866/PKU.WHXB201405201

104 Influence of Homogeneous Electric Field on the Structure and Growth of Ice ZHANG Xiang-Xiong, CHEN Min 2014, 30 (7), 1208–1214. doi: 10.3866/PKU.WHXB201405095

105 Performance, Deactivation and Regeneration of SnO2/TiO2Nanotube Composite Photocatalysts ZHAO Wei-Rong, SHI Qiao-Meng, LIU Ying 2014, 30 (7), 1318–1324. doi: 10.3866/PKU.WHXB201404222

106 Preparation and Up-Conversion Photoluminescence Properties of GdAlO3：Er3+, Yb3+Phosphors DENG Tao-Li, YAN Shi-Run, HU Jian-Guo 2014, 30 (4), 773–780. doi: 10.3866/PKU.WHXB201402201

107 Progress in the Application of Diazine Compounds in Optoelectronic Functional Materials MEI Qun-Bo, WENG Jie-Na, TONG Bi-Hai, TIAN Ru-Qiang, JIANG Yuan-Zhi, HUA Qing-Fang, HUANG Wei 2014, 30 (4), 589–607. doi: 10.3866/PKU.WHXB201402182

108 Synthesis of Quasi-Concave Pt-Ni Nanoalloys via Overgrowth and Their Catalytic Performance towards Methanol Oxidation WANG Chun, KANG Jian-Xin, WANG Li-Li, CHEN Ting-Wen, LI Jie, ZHANG Dong-Feng, GUO Lin 2014, 30 (4), 708–714. doi: 10.3866/PKU.WHXB201401222

109 Simulated Mechanism of Triclosan in Modulating the Active Site and Loop of FabI by Computer AI Yi-Xin, LU Jun-Rui, XIN Chun-Wei, MU Jiang-Bei, YANG Xu-Yun, ZHANG He 2014, 30 (3), 559–568. doi: 10.3866/PKU.WHXB201401132

110 Two-Dimensional Continuous Online In situ ATR-FTIR Spectroscopic Investigation of Adsorption of Butyl Xanthate on CuO Surfaces SHEN Qi, FAN Ying-Ju, YIN Long, SUN Zhong-Xi 2014, 30 (2), 359-364. doi: 10.3866/PKU.WHXB201312041

111 Methanol to Propylene over Nanosheets of HZSM-5 Zeolite ZHANG Shao-Long, ZHANG Lan-Lan, WANG Wu-Gang, MIN Yuan-Yuan, MATong, SONG Yu, GONG Yan-Jun, DOU Tao 2014, 30 (3), 535-543. doi: 10.3866/PKU.WHXB201401032

112 Proton Transfer in Reaction between 2,4-Diisocyanatotoluene and Amine Compounds WANG Xiao-Xuan, HU Wei, GUI Da-Yong, CHI Xu-Hui, WANG Ming-Liang, TIAN De-Yu, LIU Jian-Hong, MA Xin-Gang, PANG Ai-Min 2014, 30 (1), 34–42. doi: 10.3866/PKU.WHXB201311121

113 Preparation of Erythromycin-Imprinted Polymeric Microspheres by Emulsion Polymerization and Their Adsorption Properties ZHAO Na, HU Xiao-Ling, GUAN Ping, SONG Ren-Yuan, TIAN Tian, ZHANG Xiang-Rong 2014, 30 (1), 121–128. doi: 10.3866/PKU.WHXB201311272