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科研机构
北京大学 [20]
内容类型
期刊论文 [19]
其他 [1]
发表日期
2017 [2]
2016 [2]
2012 [3]
2011 [2]
2010 [4]
2008 [1]
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专题:北京大学
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Structural Stabilities and Electronic Properties of High-Angle Grain Boundaries in Perovskite Cesium Lead Halides
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
Guo, Yaguang
;
Wang, Qian
;
Saidi, Wissam A.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
AUGMENTED-WAVE METHOD
SOLAR-CELLS
OPTICAL-PROPERTIES
NANOCRYSTALS
LIGHT
PHOTOVOLTAICS
PERFORMANCE
CH3NH3PBI3
SIGMA-3
LENGTHS
An improved time integration scheme based on uniform cubic B-splines and its application in structural dynamics
期刊论文
APPLIED MATHEMATICS AND MECHANICS-ENGLISH EDITION, 2017
Wen, Weibin
;
Lei, Hongshuai
;
Wei, Kai
;
Xu, Baosheng
;
Duan, Shengyu
;
Fang, Daining
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
dynamical system
time integration
stability
dynamic response
B-spline
STABLE EXPLICIT METHOD
NUMERICAL DISSIPATION
Rational composition and structural design of in situ grown nickel-based electrocatalysts for efficient water electrolysis
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2016
Liu, Xiangye
;
Wang, Xin
;
Yuan, Xiaotao
;
Dong, Wujie
;
Huang, Fuqiang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
HYDROGEN-EVOLUTION REACTION
LAYERED DOUBLE-HYDROXIDE
RAY PHOTOEMISSION-SPECTROSCOPY
OXYGEN EVOLUTION
CATALYTIC-ACTIVITY
NANOWIRE ARRAYS
ELECTRODES
OXIDATION
CATHODE
NANOSHEETS
Structural Transitions Induced by Ion Irradiation in V2AlC and Cr2AlC
期刊论文
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2016
Wang, Chenxu
;
Yang, Tengfei
;
Xiao, Jingren
;
Liu, Shaoshuai
;
Xue, Jianming
;
Huang, Qing
;
Zhang, Jie
;
Wang, Jingyang
;
Wang, Yugang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
MAX PHASES
CRYSTALLIZATION KINETICS
M(N+1)AX(N) PHASES
BULK CR2ALC
HEAVY-IONS
THIN-FILMS
TI3SIC2
TI3ALC2
BEHAVIOR
TEMPERATURE
Photoelectron spectroscopy and density functional calculations of CuSin- (n=4-18) clusters
期刊论文
journal of chemical physics, 2012
Xu, Hong-Guang
;
Wu, Miao Miao
;
Zhang, Zeng-Guang
;
Yuan, Jinyun
;
Sun, Qiang
;
Zheng, Weijun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/12
DOPED SILICON CLUSTERS
ELECTRONIC-PROPERTIES
N=1-16 CLUSTERS
SELECTIVE FORMATION
METAL IMPURITIES
CAGE CLUSTERS
SI
CU
STABILITIES
GEOMETRIES
Structural transition of large lead monoxide clusters
期刊论文
computational and theoretical chemistry, 2012
Liu, Haitao
;
Zou, Xiaolong
;
Wang, Chenchen
;
Yan, Jun
;
Duan, Wenhui
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/12
Density functional theory
Lead monoxide clusters
Structure
Stability
METAL-OXIDE CLUSTERS
INFRARED-SPECTRA
BASIS-SETS
PBO
PSEUDOPOTENTIALS
CATALYSTS
NITROGEN
DENSITY
ENERGY
PB4O4
Thermodynamic properties and structural stability of thorium dioxide
期刊论文
journal of physics condensed matter, 2012
Lu, Y.
;
Yang, Y.
;
Zhang, P.
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  |  
浏览/下载:2/0
  |  
提交时间:2015/11/16
AUGMENTED-WAVE METHOD
THERMAL-CONDUCTIVITY
VIBRATIONAL FREQUENCIES
THO2
1ST-PRINCIPLES
TEMPERATURE
CRYSTALS
POINTS
UO2
The relative helix and hydrogen bond stability in the B domain of protein A as revealed by integrated tempering sampling molecular dynamics simulation
期刊论文
journal of chemical physics, 2011
Shao, Qiang
;
Gao, Yi Qin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
3-HELIX BUNDLE PROTEIN
PHI-VALUE ANALYSIS
BETA-HAIRPIN PEPTIDE
FOLDING FREE-ENERGY
FORCE-FIELD
DISORDERED CONFORMATIONS
TRANSITION-STATE
MODEL
SPECTROSCOPY
PATHWAYS
Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations
期刊论文
chinese physics b, 2011
Xu Hong-Guang
;
Wu Miao-Miao
;
Zhang Zeng-Guang
;
Sun Qiang
;
Zheng Wei-Jun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/16
photoelectron
density functional theory
metal-doped silicon clusters
SMALL SILICON CLUSTERS
ELECTRONIC-STRUCTURES
METALLOFULLERENE
STABILITIES
First-principles calculations of the structural stability of Fe 2P
其他
2010-01-01
Wu, Xiang
;
Qin, Shan
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/13
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