搜索页_+first+prin

网站地图 | English | 公务邮箱

About the library

Background
History
Leadership
Organization

Opening Hours
Collections
Help Via Email

Electronic Information Resources

常用资源

内部出版物

GSW全文库(448)	馆藏书目(131)	万方学术会议(11)	CNKI期刊论文0611(322)	标准(4)
中国地质文献-英文(161)	Springer电子图书(12)	CNKI会议论文(222)	知网期刊论文(74681)
馆藏电子书[解放前](9)	院士团队服务(4)	CNKI学位论文(219733)	万方学位论文(5)

在“Elsevier电子期刊”中，命中：17,485条，耗时：0.1759157 秒

在所有数据库中总计命中：295,743条

1.Metastable phases, phase transformation and properties of AlAs based on first-principle study

作者：Chao Liu ; Mengdong Ma ; Xiaohong Yuan ; Hao Sun ; Pan Ying ; Bo Xu ; Zhisheng Zhao ; Julong He ; ^{hjl@ysu.edu.cn}

关键词：Aluminum arsenide ; Phase transformation ; Mechanical property ; Electronic property ; First-principle

刊名：Computational Materials Science

出版年：2017

2.The influence of crystal faces on corrosion behavior of copper surface: First-principle and experiment study

作者：Zhengwei Zhang ; ^{zzw_dxj@sohu.com} ; Qiang Wang ; Xu Wang ; Lin Gao

关键词：Copper ; Crystal face ; Corrosion ; First-principle

刊名：Applied Surface Science

出版年：2017

3.Influence of point defects on optical properties of GaN-based materials by first principle study

作者：Linsen Li ; Jiadong Yu ; Zhibiao Hao ; ^{zbhao@tsinghua.edu.cn} ; Lai Wang ; Jian Wang ; Yanjun Han ; Hongtao Li ; Bing Xiong ; Changzheng Sun ; Yi Luo ; ^{luoy@tsinghua.edu.cn}

关键词：GaN-based materials ; Point defects ; First principle ; Exciton ; Yellow luminescence

刊名：Computational Materials Science

出版年：2017

4.Thermodynamic assessment and first principle calculations of the NaSbSn system

作者：Liya Dreval^a ; ^b ; ^c ; ^{dreval@msiport.com} ; Matthias Zschornak^d ; ^e ; Wolfram Mü ; nchgesang^d ; Olga Fabrichnaya^a ; David Rafaja^a ; Milé ; na L. Martine^f ; ^g ; Lars Giebeler^f ; ^g ; Mykhailo Motylenko^a

关键词：Thermodynamic modeling ; Phase diagrams ; Thermodynamic properties ; Compound energy formalism ; First principle calculations

刊名：Journal of Alloys and Compounds

出版年：2017

5.The synergetic effect of V and Fe-co-doping in TiO₂ studied from the DFT + U first-principle calculation

作者：Baoshun Liu ; ^{liubaoshun@126.com} ; Xiujian Zhao

关键词：Titanium dioxide ; Photocatalysis ; First-principle calculation ; V-Fe co-doping ; Synergetic effect

刊名：Applied Surface Science

出版年：2017

6.Structural, electronic and elastic properties of the shape memory alloy NbRu: First-principle investigations

作者：Peng Shao^a ; Li-Ping Ding^b ; ^{scu_ding@163.com} ; Dao-Bin Luo^a ; Jiang-Tao Cai^a ; Cheng Lu^c ; ^{lucheng@calypso.cn} ; Xiao-Fen Huang^d

关键词：Shape memory alloy ; First-principle investigations ; Structural stability ; Density of states ; Formation enthalpy

刊名：Journal of Alloys and Compounds

出版年：2017

7.A first-principle investigation of spin-gapless semiconductivity, half-metallicity, and fully-compensated ferrimagnetism property in Mn₂ZnMg inverse Heusler compound

作者：Xiaotian Wang^a ; ^b ; Zhenxiang Cheng^b ; ^{cheng@uow.edu.au" class="auth_mail" title="E-mail the corresponding author} ; Rabah Khenata^c ; Habib Rozale^d ; Jianli Wang^b ; Liying Wang^a ; Ruikang Guo^a ; Guodong Liu^a ; ^{gdliu1978@126.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Fully-compensated ferrimagnetic spin-gapless semiconductors ; Inverse Heusler alloy ; First-principle calculations ; Uniform strain

刊名：Journal of Magnetism and Magnetic Materials

出版年：2017

8.Vacancy-enhanced mechanism for helium diffusion along Σ7 grain boundary in α-Al₂O₃: A first principle study

作者：Fei Wang^a ; ^b ; Wensheng Lai^a ; ^{wslai@tsinghua.edu.cn} ; Rusong Li^b ; Bin He^b ; Sufen Li^b

关键词：First-principles calculations ; Grain boundary ; Helium ; Diffusion ; Alpha-Al2O3

刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

出版年：2017

9.A first-principles study on electronic structures and elastic properties of metal doped α-Fe(N) high nitrogen steel

作者：Ji-chun Yang ; Xiang-jun Liu ; Gui-xiao Jia ; ^{guixiao.jia@163.com} ; Xiao-yang Fu

关键词：First principle ; High nitrogen steel ; Metal nitride ; Electronic structure ; Elastic property

刊名：Journal of Iron and Steel Research, International

出版年：2017

10.Highly conductive thin films of nonmetal F and B co-doped ZnO on flexible substrates: Experiment and first-principles calculations

作者：Qin Li^a ; ^b ; Liping Zhu^a ; ^b ; ^{zlp1@zju.edu.cn} ; Yaguang Li^a ; ^b ; Xiangyu Zhang^a ; ^b ; Wenzhe Niu^a ; Yanmin Guo^a ; Zhizhen Ye^a ; ^b

关键词：Boron fluorine co-doped ZnO ; Flexible transparent thin film ; Highly conductive ; First principle calculation

刊名：Journal of Alloys and Compounds

出版年：2017

1

2

3

4

5

6

7

8

9

查看站内搜索结果(3)

按检索点细分(17485)

题名(682)

作者(1)

关键词(645)

文摘(15382)

NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via email.