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浏览/检索结果: 共15条，第1-10条 帮助 限定条件 发表日期：2018    专题：山东大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Photoexcitation Dynamics in Janus-MoSSe/WSe2 Heterobilayers: Ab Initio Time-Domain Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 11, 页码: 2797-2802 作者:  Liang, Yan;  Li, Jianwei;  Jin, Hao;  Huang, Baibiao;  Dai, Ying 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/11 The prediction of upper limit of copper content in CoBCu glass-forming alloys 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 152, 页码: 351-354 作者:  Dong, B. S.;  Zhou, S. X.;  Qin, J. Y.;  Chen, H.;  Wang, Y. G. 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/11 Ab initio molecular dynamics  Glass-forming ability  Cu cluster  Nanocrystalline alloy  Quenching   Atomic defects in monolayer WSe2tunneling FETs studied by systematic ab initio calculations 期刊论文 Applied Physics Express, 2018, 卷号: 11, 期号: 5 作者:  Wu, Jixuan;  Fan, Zhiqiang;  Chen, Jiezhi;  Jiang, Xiangwei 收藏  |  浏览/下载：8/0  |  提交时间：2019/12/11 Combination Effect of Cation Vacancies and O-2 Adsorption on Ferromagnetism of Na0:5Bi0:5TiO3 (100) Surface: ab initio Study 期刊论文 CHINESE JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 31, 期号: 2, 页码: 177-183 作者:  Ju, Lin;  Dai, Ying;  Xu, Tong-shuai;  Zhang, Yong-jia;  Sun, Li 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11 O-2 adsorption  Cation vacancies  Ferromagnetism  First-principles  calculation   Tetrel bonds between PhSiF3/PhTH3 (T = Si, Ge, Sn) and H(3)ZO (Z = N, P, As): A pentacoordinate silicon (IV) complex 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 17 作者:  Xu, Hui-Li;  Cheng, Jian-Bo;  Li, Hai-Bei;  Yang, Xin;  Li, Qing-Zhong 收藏  |  浏览/下载：9/0  |  提交时间：2019/12/11 ab initio calculations  N-oxides  pentacoordinate silicon (IV) complex  phenyltrifluorosilane  tetrel bonds   Ab Initio Studies of Radicals HBX (X = H, F, Cl, Br): Molecular Structure, Vibrational Frequencies and Potential Energy 期刊论文 CHINESE PHYSICS LETTERS, 2018, 卷号: 35, 期号: 1 作者:  Liu, Qi-Xin;  Liang, Min;  Miao, Quan;  Zhang, Jin-Juan;  Sun, Er-Ping 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11 Exploring pristine and Li-doped Mg2NiH4 compounds with potential lithium-storage properties: Ab initio insight 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 746, 页码: 140-146 作者:  Jiang, Guanzhong;  Qian, Zhao;  Bououdina, Mohamed;  Ahuja, Rajeev;  Liu, Xiangfa 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11 Density functional theory  Electronic structures  Conversion anode  Doping  Lithium-storage  Light metal hydrides   Comprehensive investigations on charge diffusion physics in SiN-based 3D NAND flash memory through systematical Ab initio calculations 期刊论文 Technical Digest - International Electron Devices Meeting, IEDM, 2018, 页码: 4.5.1-4.5.4 作者:  Wu, Jixuan;  Han, Dan;  Yang, Wenjing;  Chen, Shiyou;  Jiang, Xiangwei 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/11 Effect of defects on adsorption characteristics of AlN monolayer towards SO2 and NO2: Ab initio exposure 期刊论文 APPLIED SURFACE SCIENCE, 2018, 卷号: 462, 页码: 615-622 作者:  Ouyang, Tianhong;  Qian, Zhao;  Hao, Xiaopeng;  Ahuja, Rajeev;  Liu, Xiangfa 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/11 AlN monolayer  Vacancy defects  Adsorption  Electronic structure  DFT  First-principles   Theoretical investigation of the hydrolytic mechanism of α-functionalized alkoxysilanes as effective crosslinkers and the difficulty of deep vulcanization in RTV silicone rubber 期刊论文 Materials, 2018, 卷号: 11, 期号: 9 作者:  Xu H.;  Gao Y.;  Liu Z.;  Bei Y. 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/11 Ab initio calculation  Density functional theory  Hydrolytic activity  RTV silicone rubber  α-  γ-ethylenediaminemethyl trimethyl-ketoxime silane