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科研机构
北京大学 [1235]
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期刊论文 [826]
其他 [397]
会议论文 [12]
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2017 [59]
2016 [90]
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专题:北京大学
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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
碳酸钾晶体结构及性质研究进展及展望
期刊论文
科技通报, 2017
苏星瑶
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2017/12/03
碳酸钾
相变
晶体和电子结构
晶格振动
熔体
K2CO3
phase transition
crystal and electronic structure
lattice vibration
melt
An Intermediate Band Material K2CdSnSe4 and Its Visible-Light Photocatalytic Activity
期刊论文
CHEMISTRYSELECT, 2017
Sun, Baohua
;
He, Jianqiao
;
Song, Changsheng
;
Wang, Dong
;
Bu, Kejun
;
Yin, Guoheng
;
Zhang, Xian
;
Huang, Fuqiang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
intermediate band
photocatalyst
quaternary compound
semiconductor
ZNS QUANTUM DOTS
CRYSTAL-STRUCTURE
ELECTRONIC-STRUCTURE
EMITTING-DIODES
SOLAR-CELLS
CDSE
CDTE
NANOCRYSTALS
SN
PHOTOLUMINESCENCE
New approaches for rare earth-magnesium based hydrogen storage alloys
期刊论文
Progress in Natural Science: Materials International, 2017
Zhang Huaiwei
;
Zheng Xinyao
;
Tian Xiao
;
Liu Yang
;
Li Xingguo
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
Hydrogen storage
Rare earth
Ni/ MH battery
Crystal structures
Electrochemical performance
Electronic origin of the spin-phonon coupling effect in transition-metal perovskites
期刊论文
PHYSICAL REVIEW B, 2017
Wang, Hongwei
;
He, Lixin
;
Jiang, Hong
;
Steele, Cameron
;
Wu, Xifan
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
MULTIFERROICS
Theoretical Investigation of Ta2O5, TaON, and Ta3N5: Electronic Band Structures and Absolute Band Edges
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
Cui, Zhi-Hao
;
Jiang, Hong
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  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
VISIBLE-LIGHT IRRADIATION
DENSITY-FUNCTIONAL THEORY
BODY PERTURBATION-THEORY
TANTALUM OXYNITRIDE
(OXY)NITRIDE PHOTOCATALYSTS
DERIVATIVE DISCONTINUITIES
NEUTRON-DIFFRACTION
ENERGY CALCULATIONS
OPTICAL-PROPERTIES
CRYSTAL-STRUCTURE
Hydroxide-bridged five-coordinate Dy-III single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers
期刊论文
CHEMICAL SCIENCE, 2017
Xiong, Jin
;
Ding, Hai-Yan
;
Meng, Yin-Shan
;
Gao, Chen
;
Zhang, Xue-Jing
;
Meng, Zhao-Sha
;
Zhang, Yi-Quan
;
Shi, Wei
;
Wang, Bing-Wu
;
Gao, Song
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
DINUCLEAR DYSPROSIUM(III) COMPLEX
COORDINATION NUMBERS
SMM BEHAVIOR
ION MAGNETS
SPIN-STATE
ANISOTROPY
FIELD
BLOCKING
PATHWAYS
EXCHANGE
Interface formation energy, bonding, energy band alignment in alpha-NaYF4 related core shell models: For future multi-layer core shell luminescence materials
期刊论文
JOURNAL OF RARE EARTHS, 2017
Huang Bolong
;
Dong Hao
;
Wong Ka-Leung
;
Sun Lingdong
;
Yan Chunhua
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2017/12/03
interface
band-offset
core-shell
energy-transfer
rare earths
UP-CONVERSION NANOPARTICLES
NANOCRYSTAL CORE/SHELL STRUCTURE
UPCONVERTING OPTICAL-PROPERTIES
DENSITY-FUNCTIONAL THEORY
NATIVE POINT-DEFECTS
ULTRASOFT PSEUDOPOTENTIALS
PERSISTENT LUMINESCENCE
BIOMEDICAL APPLICATIONS
ELECTRONIC-STRUCTURES
EMERGING APPLICATIONS
Localization of open-shell molecular orbitals via least change from fragments to molecule
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Li, Hongyang
;
Liu, Wenjian
;
Suo, Bingbing
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
HARTREE-FOCK ORBITALS
ELECTRONIC-STRUCTURE CALCULATIONS
CONSISTENT-FIELD METHOD
BASIS-SETS
AB-INITIO
QUANTUM-MECHANICS
WANNIER FUNCTIONS
ELONGATION METHOD
EFFICIENT METHOD
PROGRAM PACKAGE
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