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北京大学 [85]

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期刊论文 [80]

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限定条件	专题：北京大学第一署名单位第一作者单位通讯作者单位

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	Substrate Doping Effect and Unusually Large Angle van Hove Singularity Evolution in Twisted Bi- and Multilayer Graphene 期刊论文 ADVANCED MATERIALS, 2017 Peng, Han; Schroter, Niels B. M.; Yin, Jianbo; Wang, Huan; Chung, Ting-Fung; Yang, Haifeng; Ekahana, Sandy; Liu, Zhongkai; Jiang, Juan; Yang, Lexian; Zhang, Teng; Chen, Cheng; Ni, Heng; Barinov, Alexey; Chen, Yong P.; Liu, Zhongfan; Peng, Hailin; Chen, Yulin 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/03 micro-ARPES substrate doping effect twisted bilayer graphene van Hove singularity BILAYER GRAPHENE TRANSISTORS
	Interface formation energy, bonding, energy band alignment in alpha-NaYF4 related core shell models: For future multi-layer core shell luminescence materials 期刊论文 JOURNAL OF RARE EARTHS, 2017 Huang Bolong; Dong Hao; Wong Ka-Leung; Sun Lingdong; Yan Chunhua 收藏 \| 浏览/下载：11/0 \| 提交时间：2017/12/03 interface band-offset core-shell energy-transfer rare earths UP-CONVERSION NANOPARTICLES NANOCRYSTAL CORE/SHELL STRUCTURE UPCONVERTING OPTICAL-PROPERTIES DENSITY-FUNCTIONAL THEORY NATIVE POINT-DEFECTS ULTRASOFT PSEUDOPOTENTIALS PERSISTENT LUMINESCENCE BIOMEDICAL APPLICATIONS ELECTRONIC-STRUCTURES EMERGING APPLICATIONS
	锗纳米管催化的氧还原反应:催化性能和机理研究期刊论文化学学报, 2017 陈鑫; 鄢慧君; 夏定国收藏 \| 浏览/下载：8/0 \| 提交时间：2017/12/03 锗纳米管氧还原反应溶剂效应密度泛函理论 germanium nanotube oxygen reduction reaction solvent effect density functional theory (DFT) METAL-AIR BATTERIES DOPED GRAPHENE FUEL-CELLS DENSITY CATHODE ELECTROCATALYSTS ELECTROLYTE N-GE(100) PLATINUM SURFACES
	Chirality recognition in concerted proton transfer process for prismatic water clusters 期刊论文 NANO RESEARCH, 2016 Wang, Bo; Jiang, Wanrun; Gao, Yang; Teo, Boon K.; Wang, Zhigang 收藏 \| 浏览/下载：2/0 \| 提交时间：2017/12/03 water cluster chirality proton transfer circular dichroism spectrum density functional theory calculation METAL-ORGANIC FRAMEWORKS VIBRATIONAL CIRCULAR-DICHROISM DENSITY FUNCTIONALS CYCLIC WATER AB-INITIO ELECTRON-DENSITY BINDING-ENERGIES HYDROGEN-BONDS IONIZED WATER (H2O)(N)
	Complex formation dynamics in a single-molecule electronic device 期刊论文 SCIENCE ADVANCES, 2016 Wen, Huimin; Li, Wengang; Chen, Jiewei; He, Gen; Li, Longhua; Olson, Mark A.; Sue, Andrew C.H.; Stoddart, J. Fraser; Guo, Xuefeng 收藏 \| 浏览/下载：2/0 \| 提交时间：2017/12/03 WALLED CARBON NANOTUBES ON-WIRE LITHOGRAPHY ELECTRICAL DETECTION JUNCTIONS TRANSPORT SPECTROSCOPY RECOGNITION CONDUCTANCE KINETICS DNA
	Directional Growth of One-Dimensional CO2 Chains on ZnO(10(1)over-bar0) 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2016 Shi, Hong; Ruan, Shiqi; Liu, Huihui; Wang, Li; Wang, Wenyuan; Ren, Xinguo; Wang, Bing; Wu, Kai; Shao, Xiang 收藏 \| 浏览/下载：3/0 \| 提交时间：2017/12/03 MINIMUM ENERGY PATHS ELASTIC BAND METHOD ELECTRONIC-STRUCTURE CARBON-DIOXIDE METHANOL SYNTHESIS SADDLE-POINTS ZNO SURFACES ADSORPTION SPECTROSCOPY CATALYSTS
	Electronic Structures of Free-Standing Nanowires made from Indirect Bandgap Semiconductor Gallium Phosphide 期刊论文 SCIENTIFIC REPORTS, 2016 Liao, Gaohua; Luo, Ning; Chen, Ke-Qiu; Xu, H. Q. 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/03 TIGHT-BINDING PARAMETERS GAP NANOWIRES WURTZITE WATER GAAS ZINC
	Electronic structures of [111]-oriented free-standing InAs and InP nanowires 期刊论文 JOURNAL OF PHYSICS-CONDENSED MATTER, 2016 Liao, Gaohua; Luo, Ning; Chen, Ke-Qiu; Xu, H. Q. 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 semiconductor nanowire band structure InAs InP spin-orbit interaction tight-binding method INDIUM-PHOSPHIDE NANOWIRES BIAS CONDUCTANCE PEAK CORE-SHELL NANOWIRES TOPOLOGICAL SUPERCONDUCTOR MAJORANA FERMIONS HYBRID DEVICE SOLAR-CELLS SEMICONDUCTORS HETEROSTRUCTURES ZINCBLENDE
	The selectivity and activity of catalyst for CO hydrogenation to methanol and hydrocarbon: A comparative study on Cu, Co and Ni surfaces 期刊论文 SURFACE SCIENCE, 2016 Wang, Jingbo; Kawazoe, Yoshiyuki; Sun, Qiang; Chan, Siewhwa; Su, Haibin 收藏 \| 浏览/下载：3/0 \| 提交时间：2017/12/03 Methanol Hydrocarbon Chain growth Activity Selectivity BEP relation FISCHER-TROPSCH SYNTHESIS DENSITY-FUNCTIONAL THEORY GENERALIZED GRADIENT APPROXIMATION ADSORBATE-ADSORBATE INTERACTIONS HIGHER ALCOHOL SYNTHESIS CHAIN GROWTH-MECHANISM TRANSITION-METALS STRUCTURE SENSITIVITY ACTIVATION-ENERGIES SUPPORTED METALS
	High adsorption capacity of heavy metals on two-dimensional MXenes: an ab initio study with molecular dynamics simulation 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016 Guo, Xun; Zhang, Xitong; Zhao, Shijun; Huang, Qing; Xue, Jianming 收藏 \| 浏览/下载：6/0 \| 提交时间：2017/12/03 TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET TITANIUM CARBIDE LEAD ADSORPTION STORAGE INTERCALATION DIFFUSION TI3ALC2

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