Table of Contents

• Cover and Table of Contents for Vol.33 No. 9
• 2017, 33 (9): 0.

• 346Abstract/Metrics
• 746 PDF(7224KB)

HIGHLIGHT

• Selectively Oxidative Cyanation of C-H Bond to Synthesize Organic Nitriles
• Wenjie SHEN
• 2017, 33 (9): 1721-1722. DOI: 10.3866/PKU.WHXB201705193

• 669Abstract/Metrics
• 22RichHTML
• 509 PDF(642KB)

• Electroplating Lithium Ion Battery Cathodes
• Lin ZHUANG
• 2017, 33 (9): 1723-1723. DOI: 10.3866/PKU.WHXB201705224

• 1024Abstract/Metrics
• 21RichHTML
• 658 PDF(565KB)

• Discovery of Heavy Element Metal-Metal Multiple Bonding: The U≡Fe Triple Bonds
• Kai WU
• 2017, 33 (9): 1724-1725. DOI: 10.3866/PKU.WHXB201705225

• 599Abstract/Metrics
• 12RichHTML
• 488 PDF(329KB)

• Highly Efficient Photoelectrochemical Water Splitting with an Immobilized Molecular Co₄O₄ Cubane Catalyst
• Kai WU
• 2017, 33 (9): 1726-1727. DOI: 10.3866/PKU.WHXB201705243

• 705Abstract/Metrics
• 16RichHTML
• 452 PDF(246KB)

• An Efficient Trap State Passivator of Perovskite and Its Passivation Mechanism
• Kai WU
• 2017, 33 (9): 1728-1729. DOI: 10.3866/PKU.WHXB201705291

• 1036Abstract/Metrics
• 15RichHTML
• 755 PDF(355KB)

REVIEW

• Halide Perovskite Materials for Solar Cells: a Theoretical Review
• Yang HUANG,Qing-De SUN,Wen XU,Yao HE,Wan-Jian YIN
• Halide perovskites have recently emerged as promising materials for low-cost, high-efficiency solar cells. The efficienc...
• 2017, 33 (9): 1730-1751. DOI: 10.3866/PKU.WHXB201705042

• 2609Abstract/Metrics
• 46RichHTML
• 3450 PDF(3855KB)

ARTICLE

• Development and Validation of a Reduced Chemical Kinetic Mechanism for HCCI Engine of Biodiesel Surrogate
• Jie XIAO,Bo ZHANG,Zhao-Lei ZHENG
• A simplified mechanism of methyl decanoate and n-heptane blend was developed for a homogeneous charge compression igniti...
• 2017, 33 (9): 1752-1764. DOI: 10.3866/PKU.WHXB201704273

• 1173Abstract/Metrics
• 11RichHTML
• Supporting Info
• 706 PDF(8099KB)

• Effect of Adsorption of Fe Atoms on the Structure and Properties of WS₂ Monolayer
• Wei-Yun XU,Li-Li WANG,Yi-Ming MI,Xin-Xin ZHAO
• In this work, first-principles calculations were performed to study the effect of the adsorption of Fe atoms on the stru...
• 2017, 33 (9): 1765-1772. DOI: 10.3866/PKU.WHXB201705102

• 1299Abstract/Metrics
• 10RichHTML
• 542 PDF(1551KB)

• Combined Effects of the Hole and Twin Boundary on the Deformation of Ag Nanowires: a Molecular Dynamics Simulation Study
• Xiu-Xiu WANG,Jian-Wei ZHAO,Gang YU
• Based on molecular dynamics simulations, the plastic deformation of silver nanowires under uniaxial tension has been stu...
• 2017, 33 (9): 1773-1780. DOI: 10.3866/PKU.WHXB201705087

• 1038Abstract/Metrics
• 10RichHTML
• Supporting Info
• 529 PDF(2763KB)

• First-Principles Study:the Structural Stability and Sulfur Anion Redox of Li_1-xNiO_2-yS_y
• Hui-Jun YAN,Biao LI,Ning JIANG,Ding-Guo XIA
• Ni-rich layered oxides are the preferred cathode materials for high-energy-density lithium-ion batteries currently used ...
• 2017, 33 (9): 1781-1788. DOI: 10.3866/PKU.WHXB201705041

• 1566Abstract/Metrics
• 21RichHTML
• Supporting Info
• 745 PDF(3399KB)

• Design of Benzobisthiadiazole Analogues as Promising Anchoring Groups for High Efficient Dye-Sensitized Solar Cells
• Zhong-Gao LI,Tian LU,Heng GAO,Qing ZHANG,Min-Jie LI,Wei REN,Wen-Cong LU
• This work describes the characteristics of benzobisthiadiazole analogues with different heteroatom substitution patterns...
• 2017, 33 (9): 1789-1795. DOI: 10.3866/PKU.WHXB201705082

• 1234Abstract/Metrics
• 21RichHTML
• Supporting Info
• 728 PDF(2317KB)

• Effect of Ni Doping on Electron Transfer in Ni/MgO Catalysts
• Yun-Peng GUO,Jie FENG,Wen-Ying LI
• First-principles calculations based on density functional theory (DFT) have been used to investigate how Ni doping in th...
• 2017, 33 (9): 1796-1802. DOI: 10.3866/PKU.WHXB201705081

• 1020Abstract/Metrics
• 17RichHTML
• Supporting Info
• 759 PDF(2937KB)

• Theoretical Studies on the Structures and Opto-Electronic Properties of Fluorene-Based Strained Semiconductors
• Yu-Yu LIU,Jie-Wei LI,Yi-Fan BO,Lei YANG,Xiao-Fei ZHANG,Ling-Hai XIE,Ming-Dong YI,Wei HUANG
• [4]Cyclo-9, 9-dimethyl-2, 7-fluorenylene ([4]CF) was used as a model compound to explore the steric strain effect on the...
• 2017, 33 (9): 1803-1810. DOI: 10.3866/PKU.WHXB201705104

• 947Abstract/Metrics
• 13RichHTML
• Supporting Info
• 672 PDF(3304KB)

• Cobalt@cobalt Carbide Supported on Nitrogen and Sulfur Co-Doped Carbon: an Efficient Non-Precious Metal Electrocatalyst for Oxygen Reduction Reaction
• Hai-Bo SHEN,Hao JIANG,Yi-Si LIU,Jia-Yu HAO,Wen-Zhang LI,Jie LI
• Development of high-efficiency and low-cost electrocatalysts for large-scale oxygen reduction reaction (ORR) remains a c...
• 2017, 33 (9): 1811-1821. DOI: 10.3866/PKU.WHXB201704264

• 3047Abstract/Metrics
• 39RichHTML
• Supporting Info
• 1446 PDF(3724KB)

• Flexible Pd@PANI/rGO Paper Anode for Methanol Fuel Cells
• Hui-Hui QIAN,Xiao HAN,Yan ZHAO,Yu-Qin SU
• Polyaniline was synthesized on the surface of flexible graphene paper by pulse voltage method. The composite material wa...
• 2017, 33 (9): 1822-1827. DOI: 10.3866/PKU.WHXB201705022

• 1490Abstract/Metrics
• 12RichHTML
• 759 PDF(2053KB)

• Flexible All-Solid-State Supercapacitor Based on Three-Dimensional Porous Graphene/Titanium-Containing Copolymer Composite Film
• Wei-Shi DU,Yao-Kang LÜ,Zhi-Wei CAI,Cheng ZHANG
• A new three-dimensional (3D) porous graphene thin film named rGO-Fe was prepared through chemical reduction from Fe3+ io...
• 2017, 33 (9): 1828-1837. DOI: 10.3866/PKU.WHXB201705089

• 1771Abstract/Metrics
• 26RichHTML
• Supporting Info
• 1233 PDF(3028KB)

• Effect of the Diameter of Carbon Nanotubes Supporting Platinum Nanoparticles on the Electrocatalytic Oxygen Reduction
• Jing-Hua YU,Wen-Wen LI,Hong ZHU
• A series of nanocatalysts consisting of acid treated carbon nanotubes (CNTs) with different diameters (8-15, 20-30, 30-5...
• 2017, 33 (9): 1838-1845. DOI: 10.3866/PKU.WHXB201705052

• 1157Abstract/Metrics
• 15RichHTML
• 673 PDF(2600KB)

• Wettability of Triton X-100 on Wheat (Triticum aestivum) Leaf Surfaces with Respect to Developmental Changes
• Chen-Hui ZHANG,Xin ZHAO,Jin-Mei LEI,Yue MA,Feng-Pei DU
• In this research, the wetting behavior of nonionic surfactant Triton X-100 on wheat leaf surfaces at different developme...
• 2017, 33 (9): 1846-1854. DOI: 10.3866/PKU.WHXB201705051

• 1308Abstract/Metrics
• 15RichHTML
• 970 PDF(1925KB)

• Cu-Doped Octahedral Layered Birnessites Catalysts for the Catalytic Oxidation of CO and Ethyl Acetate
• Zhi-Dan FU,Jia-Xin ZANG,Qing YE,Shui-Yuan CHENG,Tian-Fang KANG
• Octahedral layered birnessite (denoted as OL) was synthesized by the oxidation-reduction method and a series of Cux/OL c...
• 2017, 33 (9): 1855-1864. DOI: 10.3866/PKU.WHXB201704282

• 1236Abstract/Metrics
• 7RichHTML
• 572 PDF(2320KB)

• Carbon Fiber-supported Rh-Mn in Close Contact with Each Other and Its Catalytic Performance for Ethanol Synthesis from Syngas
• Hong-Yan NING,Qi-Lei YANG,Xiao YANG,Ying-Xia LI,Zhao-Yu SONG,Yi-Ren LU,Li-Hong ZHANG,Yuan LIU
• Rh-Mn-based catalysts are promising for ethanol synthesis from syngas. In this work, a carbon fiber (CF)-supported Rh-Mn...
• 2017, 33 (9): 1865-1874. DOI: 10.3866/PKU.WHXB201704285

• 1047Abstract/Metrics
• 11RichHTML
• 736 PDF(2150KB)

• Experimental Boosting of the Oxygen Reduction Activity of an Fe/N/C Catalyst by Sulfur Doping and Density Functional Theory Calculations
• Chi CHEN,Xue ZHANG,Zhi-You ZHOU,Xin-Sheng ZHANG,Shi-Gang SUN
• S doping in Fe/N/C non-precious metal catalysts is an effective approach to further improve their catalytic activity for...
• 2017, 33 (9): 1875-1883. DOI: 10.3866/PKU.WHXB201705088

• 2047Abstract/Metrics
• 18RichHTML
• 1298 PDF(2380KB)

• Visible-Light Photocatalytic Reduction of CO₂ by CoTe Prepared via a Template-Free Hydrothermal Method
• Liang ZHOU,Xue-Hua ZHANG,Lin LIN,Pan LI,Kun-Juan SHAO,Chun-Zhong LI,Tao HE
• A CoTenanocatalyst has been successfully synthesized via a template-free hydrothermal method. Inorganic reactants were u...
• 2017, 33 (9): 1884-1890. DOI: 10.3866/PKU.WHXB201705084

• 991Abstract/Metrics
• 11RichHTML
• 1048 PDF(1678KB)

• Synthesis Direct Z-Scheme CuS-WO₃ Photocatalysts Based on an Element-Reaction Route and Their Photocatalytic Activity
• Chun-Dong SONG,Jing ZHANG,Ying GAO,Yuan-Yuan LU,Fang-Fang WANG
• CuS fabricated by an element-reaction route using copper and sulfur powders was loaded on WO3 in situ at a low temperatu...
• 2017, 33 (9): 1891-1897. DOI: 10.3866/PKU.WHXB201705111

• 2012Abstract/Metrics
• 14RichHTML
• 1009 PDF(2192KB)

• Carboxyl-Enriched Conjugated Microporous Polymers: Impact of Building Blocks on Porosity and Gas Adsorption
• Chan YAO,Guo-Yan LI,Yan-Hong XU
• Polar groups in the skeletons of conjugated microporous polymers (CMPs) play an important role in determining their poro...
• 2017, 33 (9): 1898-1904. DOI: 10.3866/PKU.WHXB201705112

• 1001Abstract/Metrics
• 9RichHTML
• Supporting Info
• 577 PDF(2817KB)

• Molecular Mechanism Underlying Affinity Interactions between Z_Aβ3 and the A_β16-40 Monomer
• Fu-Feng LIU,Yu-Bo FAN,Zhen LIU,Shu BAI
• Alzheimer's disease (AD) is mainly caused by the aggregation of amyloid-β (Aβ) protein. Development of inhibitors to pre...
• 2017, 33 (9): 1905-1914. DOI: 10.3866/PKU.WHXB201704274

• 962Abstract/Metrics
• 10RichHTML
• Supporting Info
• 681 PDF(3006KB)

• Efficient Synthesis of Sulfur and Nitrogen Co-Doped Porous Carbon by Microwave-Assisted Pyrolysis of Ionic Liquid
• Yan-Shuang MENG,Chen WANG,Lei WANG,Gong-Rui WANG,Jun XIA,Fu-Liang ZHU,Yue ZHANG
• Sulfur and nitrogen co-doped porous carbon (SNDPC) was successfully synthesized using one-step microwave-assisted pyroly...
• 2017, 33 (9): 1915-1922. DOI: 10.3866/PKU.WHXB201705083

• 1350Abstract/Metrics
• 19RichHTML
• 595 PDF(1874KB)