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北京大学 [625]

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期刊论文 [579]

会议论文 [2]

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浏览/检索结果: 共625条，第1-10条

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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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	Pressure-induced structural and spin transitions of Fe3S4 期刊论文 SCIENTIFIC REPORTS, 2017 Huang, Shengxuan; Kang, Duan; Wu, Xiang; Niu, Jingjing; Qin, Shan 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 AUGMENTED-WAVE METHOD GREIGITE FE3S4 MAGNETIC-PROPERTIES CRYSTAL-STRUCTURE FE3O4 COMPRESSIBILITY TEMPERATURES POLYMORPHS STABILITY SPECTRA
	K2O及其类似氧化物的第一性原理计算期刊论文科技通报, 2017 聂淑芳; 苏星瑶; 王洋; 姜源; 吴圣; 赵习; 蒋启财收藏 \| 浏览/下载：56/0 \| 提交时间：2017/12/03 密度泛函理论立方结构氧化物状态方程机械性质 density functional theory cubic structural oxides equation of state mechanical properties
	A new Ca3MgSi2O8 compound and some of its thermodynamic properties 期刊论文 JOURNAL OF SOLID STATE CHEMISTRY, 2017 Bao, Xinjian; Zhang, Yanyao; Zhang, Zhigang; Zhang, Lifei; Liu, Xiaoyang; Dong, Jianjun; Liu, Xi 收藏 \| 浏览/下载：2/0 \| 提交时间：2017/12/03 New Ca3MgSi2Os compound Single-crystal X-ray diffraction First-principles simulation Compressibility Heat capacity Standard vibrational entropy P2(1)/C-C2/C PHASE-TRANSITION X-RAY BEHAVIOR SIMULATION MERWINITE MANTLE FULL
	Stability of icosahedral quasicrystals in a simple model with two-length scales 其他 2017-01-01 Jiang, Kai; Zhang, Pingwen; Shi, An-Chang 收藏 \| 浏览/下载：7/0 \| 提交时间：2017/12/03 icosahedral quasicrystals two length scales with golden ratio projection method MEAN-FIELD THEORY FARADAY WAVES ORDER SYMMETRY PATTERNS SPHERES SYSTEM
	Steering Surface Reaction at Specific Sites with Self-Assembly Strategy 期刊论文 ACS NANO, 2017 Zhou, Xiong; Bebensee, Fabian; Yang, Mingmei; Bebensee, Regine; Cheng, Fang; He, Yang; Shen, Qian; Shang, Jian; Liu, Zhirong; Besenbacher, Flemming; Linderoth, Trolle R.; Wu, Kai 收藏 \| 浏览/下载：7/0 \| 提交时间：2017/12/03 steering surface reaction self-assembly strategy active site Ullmann coupling scanning tunneling microscopy ULLMANN COUPLING REACTION SCANNING TUNNELING MICROSCOPE DENSITY-FUNCTIONAL THEORY AUGMENTED-WAVE METHOD GRAPHENE NANORIBBONS HYBRID CHAINS C-C HALOGEN NANOARCHITECTURES POLYMERIZATION
	On the shuttling mechanism of a chlorine atom in a chloroaluminum phthalocyanine based molecular switch 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017 Song, Huanjun; Fu, Cenfeng; Li, Na; Zhu, Hao; Peng, Zhantao; Zhao, Wenhui; Dai, Jingxin; Xing, Lingbo; Huang, Zhichao; Chen, Wei; Wang, Yongfeng; Yang, Jinlong; Wu, Kai 收藏 \| 浏览/下载：7/0 \| 提交时间：2017/12/03 SCANNING-TUNNELING-MICROSCOPY TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD SINGLE-MOLECULE ADSORBED PHTHALOCYANINE CYCLIC CARBONATES BASIS-SET CONDUCTANCE MANIPULATION ADSORPTION
	In Situ Electron Driven Carbon Nanopillar-Fullerene Transformation through Cr Atom Mediation 期刊论文 NANO LETTERS, 2017 Zhao, Liang; Ta, Huy Q.; Dianat, Arezoo; Soni, Akash; Fediai, Artem; Yin, Wajian; Gemming, Thomas; Trzebicka, Barbara; Cuniberti, Gianaurelio; Liu, Zhongfan; Bachmatiuk, Alicja; Rummeli, Mark H. 收藏 \| 浏览/下载：3/0 \| 提交时间：2017/12/03 In situ TEM pillared graphene Cr atoms carbon nanotube dynamic transformations SPACE GAUSSIAN PSEUDOPOTENTIALS C-60 INTERCALATED GRAPHITE PILLARED GRAPHENE IRRADIATION NANOTUBES PEAPODS DIAMOND NANOSTRUCTURES DYNAMICS ONIONS
	Tellurium-Impregnated Porous Cobalt-Doped Carbon Polyhedra as Superior Cathodes for Lithium-Tellurium Batteries 期刊论文 ACS NANO, 2017 He, Jiarui; Lv, Weiqiang; Chen, Yuanfu; Wen, Kechun; Xu, Chen; Zhang, Wanli; Li, Yanrong; Qin, Wu; He, Weidong 收藏 \| 浏览/下载：6/0 \| 提交时间：2017/12/03 tellurium metal-organic frameworks cathode in-operando Raman spectroscopy lithium-tellurium battery LI-TE BATTERIES SULFUR BATTERIES ION BATTERIES PERFORMANCE GRAPHENE NANOSHEETS NANOWIRES ANODE
	Oxime-Based and Catalyst-Free Dynamic Covalent Polyurethanes 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017 Liu, Wen-Xing; Zhang, Chi; Zhang, Huan; Zhao, Ning; Yu, Zhi-Xiang; Xu, Jian 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 CROSS-LINKED POLYMERS BLOCKED ISOCYANATES PHENYL ISOCYANATE CLICK CHEMISTRY NETWORKS BONDS TEMPERATURE MECHANISM SYSTEMS PERFORMANCE
	Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017 Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian 收藏 \| 浏览/下载：7/0 \| 提交时间：2017/12/03 DENSITY-FUNCTIONAL THEORY MULTIREFERENCE PERTURBATION-THEORY GAUSSIAN-BASIS SETS GENERALIZED-GRADIENT-APPROXIMATION CORRELATED MOLECULAR CALCULATIONS CONFIGURATION-INTERACTION METHOD POTENTIAL-ENERGY SURFACES MODEL-SPACE COEFFICIENTS COUPLED-CLUSTER METHOD ANO BASIS-SETS

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