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科研机构
厦门大学 [50]
内容类型
期刊论文 [47]
其他 [3]
发表日期
2014 [9]
2013 [7]
2012 [9]
2011 [9]
2010 [2]
2009 [6]
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专题:厦门大学
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Interplay between gadolinium dopants and oxygen vacancies in HfO2: A density functional theory plus Hubbard U investigation
期刊论文
http://dx.doi.org/10.1063/1.4869539, 2014
Zhang, Wei
;
Hou, Z. F.
;
侯柱锋
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
AUGMENTED-WAVE METHOD
RARE-EARTH METALS
AB-INITIO
GATE DIELECTRICS
OXIDE-FILMS
DEFECTS
SILICON
HAFNIA
Band engineering of GaN/AlN quantum wells by Si dopants
期刊论文
http://dx.doi.org/10.1063/1.4868580, 2014
Zhuo, Xiaolong
;
Ni, Jianchao
;
Li, Jinchai
;
Lin, Wei
;
Cai, Duanjun
;
Li, Shuping
;
Kang, Junyong
;
蔡端俊
;
李书平
;
康俊勇
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
TOTAL-ENERGY CALCULATIONS
LIGHT-EMITTING DIODES
AUGMENTED-WAVE METHOD
LASER-DIODES
BASIS-SET
High Mg effective incorporation in Al-rich AlxGa1 (-) N-x by periodic repetition of ultimate V/III ratio conditions
期刊论文
http://dx.doi.org/10.1186/1556-276X-9-40, 2014
Zheng, Tongchang
;
Lin, Wei
;
Cai, Duanjun
;
Yang, Weihuang
;
Jiang, Wei
;
Chen, Hangyang
;
Li, Jinchai
;
Li, Shuping
;
Kang, Junyong
;
蔡端俊
;
李书平
;
康俊勇
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
AUGMENTED-WAVE METHOD
GAN
GROWTH
HETEROSTRUCTURES
POLARIZATION
ENHANCEMENT
SOLUBILITY
MECHANISM
SURFACES
DIODES
Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories
期刊论文
http://dx.doi.org/10.1021/ct500367s, 2014
Zhang, Huaiyu
;
Danovich, David
;
Wu, Wei
;
Braida, Benoit
;
Hiberty, Philippe C.
;
Shaik, Sason
;
吴玮
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
CONSISTENT-FIELD METHOD
CONFIGURATION-INTERACTION
DYNAMIC CORRELATION
LOCALIZATION
DISSOCIATION
ENERGIES
COMPACT
F2
Toward high capacity and stable manganese-spinel electrode materials: A case study of Ti-substituted system
期刊论文
http://dx.doi.org/10.1016/j.jpowsour.2013.07.021, 2014
Wang, Sihui
;
Yang, Jiong
;
Wu, Xiaobiao
;
Li, Yixiao
;
Gong, Zhengliang
;
Wen, Wen
;
Lin, Min
;
Yang, Jihui
;
Yang, Yong
;
龚正良
;
林敏
;
杨勇
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
RECHARGEABLE LITHIUM BATTERIES
AUGMENTED-WAVE METHOD
SOL-GEL METHOD
STORAGE PERFORMANCE
CATHODE MATERIALS
ELECTROCHEMICAL CHARACTERIZATION
STRUCTURAL-CHANGES
PHASE-TRANSITIONS
OXYGEN DEFICIENCY
PYROLYSIS METHOD
First principles investigation of the structure and electronic properties of Cu2Te
期刊论文
http://dx.doi.org/10.1016/j.commatsci.2013.08.009, 2014
Zhang, Yinggan
;
Sa, Baisheng
;
Zhou, Jian
;
Sun, Zhimei
;
周健
;
孙志梅
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
AUGMENTED-WAVE METHOD
TOPOLOGICAL INSULATORS
PHASE-TRANSFORMATIONS
CUPROUS TELLURIDE
STABILITY
SCHEMES
SPECTRA
SOLIDS
NICKEL
CU2SE
Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet
期刊论文
http://dx.doi.org/10.1016/j.commatsci.2014.04.038, 2014
Kaewmaraya, Thanayut
;
De Sarkar, Abir
;
Sa, Baisheng
;
Sun, Z.
;
Ahuja, Rajeev
;
萨百晟
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
AUGMENTED-WAVE METHOD
THIN-FILMS
SENSOR
GAS
Structures and electronic properties of oxidized graphene from first-principles study
期刊论文
http://dx.doi.org/10.1209/0295-5075/105/37005, 2014
Zhang, Yang
;
Fang, Dang-Qi
;
Zhang, Sheng-Li
;
Wen, Yu-Hua
;
Zhu, Zi-Zhong
;
文玉华
;
朱梓忠
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
ELASTIC BAND METHOD
EPITAXIAL GRAPHENE
GRAPHITE OXIDE
SADDLE-POINTS
BASIS-SET
MOLECULES
SURFACE
PATHS
Structural and electronic properties of hydrogenated bilayer boron nitride
期刊论文
http://dx.doi.org/10.7498/aps.63.016801, 2014
Gao Tan-Hua
;
Wu Shun-Qing
;
Zhang Peng
;
Zhu Zi-Zhong
;
高潭华
;
吴顺情
;
朱梓忠
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
BASIS-SET
GRAPHENE
MOLECULES
Unique Metal Dicorrole Dyes with Excellent Photoelectronic Properties for Solar Cells: Insight from Density Functional Calculations
期刊论文
http://dx.doi.org/10.1021/jp403793f, 2013
Zhu, Chun
;
Liang, Jinxia
;
Cao, Zexing
;
曹泽星
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/07/22
AUGMENTED-WAVE METHOD
ELECTRON INJECTION
TIO2 FILMS
LOW-COST
EFFICIENCY
SENSITIZER
MOLECULES
DESIGN
FEMTOSECOND
CAM-B3LYP
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