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北京大学 [9]

清华大学 [6]

厦门大学 [6]

山东大学 [5]

西安交通大学 [3]

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期刊论文 [54]

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	First-principles study on the design of metal-decorated N-doped γ-graphyne as a high capacity CH4adsorbent 期刊论文 Journal of Applied Physics, 2022, 卷号: 132, 期号: 6 作者: Zhao, Qiuyu; Ju, Jiaming; Chen, Yuhong; Xu, Wenhui; Zhao, Yingjie 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/09/22 Adsorption Atoms Binding energy Carbon nitride Chemical bonds Doping (additives) Electric fields Substrates Titanium Adsorption energies Charged substrates First-principle study Graphyne High capacity Inter-molecular forces N-doped Negative charge Negatively charged Ti atoms
	Effects of Zr-Re/W co-segregation behavior on the thermodynamic stability and fracture strength of γ-Ni/γ'-Ni3Al interface 期刊论文 Physics Letters, Section A: General, Atomic and Solid State Physics, 2021, 卷号: 408 作者: Ahmed, Fawaz Alnoman Mohammed; Xue, Hong-Tao; Tang, Fu-Ling; Ren, Jun-Qiang; Lu, Xue-Feng 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/02/17 Binding energy Calculations Density functional theory Fracture Fracture toughness Nickel Nickel alloys Segregation (metallography) Single crystals Binding strength Co-segregation Density-functional-theory First principle calculations Formation energies Interfacial fracture Ni$-3$/Al Nickel-based single-crystal superalloy Pseudogaps Γ-ni/γ'-ni3al phase interface
	Difluorinated Oligothiophenes for High-Efficiency All-Small-Molecule Organic Solar Cells: Positional Isomeric Effect of Fluorine Substitution on Performance Variations 期刊论文 SOLAR RRL, 2020, 页码: 10 作者: Duan, Tainan; Gao, Jie; Babics, Maxime; Kan, Zhipeng; Zhong, Cheng 收藏 \| 浏览/下载：8/0 \| 提交时间：2020/08/24 binding energies fluorination nonfullerene organic solar cells small-molecule donors
	Evolution of atomic structures of Sn-N, and Sn-N(-), and SnNCl- clusters (N=4-20): Insight from ab initio calculations 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 页码: 174304 作者: Wu, Di; Du, Qiuying; Wu, Xue; Shi, Ruili; Sai, Linwei 收藏 \| 浏览/下载：34/0 \| 提交时间：2019/12/02 Atoms Binding energy Calculations Chlorine Chlorine compounds Density functional theory Electronic properties Genetic algorithms Ionization potential Isomers Photoelectron spectroscopy Photoelectrons Photons Tin compounds, Ab initio calculations Detachment energy Energy isomers Equilibrium structures Low energy structures Photoelectron spectrum Structural frameworks Vertical detachment energies, Nitrogen compounds
	Magic numbers and stabilities of heavy water clusters, (D2O)(N)D+, N=3-48 期刊论文 INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2019, 卷号: Vol.440, 页码: 14-19 作者: Hansen, K.a,b; Ryding, M.J.c; Uggerud, E.c 收藏 \| 浏览/下载：1/0 \| 提交时间：2019/11/21 Heavy water Clusters Unimolecular reactions Binding energies
	Nitrogen Engineering on 3D Dandelion-Flower-Like CoS2 for High-Performance Overall Water Splitting 期刊论文 SMALL, 2019, 卷号: 15, 期号: 31 作者: Yao, Na; Li, Peng; Zhou, Zirui; Meng, Ran; Cheng, Gongzhen 收藏 \| 浏览/下载：6/0 \| 提交时间：2019/12/05 CoS2 DFT nitrogen engineering water and hydrogen binding energies water splitting
	Massive neutron stars and Lambda-hypernuclei in relativistic mean field models 期刊论文 CHINESE PHYSICS C, 2018, 卷号: 42, 期号: 2, 页码: 25101 作者: Zhang, SS; Sun, TT; Xia, CJ; Smith, MS 收藏 \| 浏览/下载：139/0 \| 提交时间：2018/12/27 MESON COUPLING MODEL P-SHELL HYPERNUCLEI EQUATION-OF-STATE BINDING-ENERGIES XI-HYPERNUCLEI GROUND-STATE NUCLEI MATTER MASSES SIGMA
	Ground State Properties of Z=126 Isotopes within the Relativistic Mean Field Model 期刊论文 COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 67, 页码: 83-89 作者: Yu, Qi-Xin; Li, Jun-Qing; Zhang, Hong-Fei 收藏 \| 浏览/下载：9/0 \| 提交时间：2018/05/31 superheavy nuclei binding energies single-particle levels
	Ground State Properties of Z=126 Isotopes within the Relativistic Mean Field Model 期刊论文 COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 67, 期号: 1-1, 页码: 83-89 作者: Yu, QX; Li, JQ; Zhang, HF 收藏 \| 浏览/下载：8/0 \| 提交时间：2017/05/09 superheavy nuclei binding energies single-particle levels
	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)

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