机构

• 金属研究所 [7]
• 物理研究所 [3]
• 化学研究所 [1]
• 半导体研究所 [1]
• 长春应用化学研究所 [1]

采集方式

• OAI收割 [13]

内容类型

• 期刊论文 [13]

发表日期

• 2014 [1]
• 2011 [1]
• 2010 [2]
• 2009 [4]
• 2008 [1]
• 2007 [1]
• 更多

学科主题

• 半导体物理 [1]

筛选

浏览/检索结果: 共13条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 The influence of numbers and ligation positions of the triphenylamine unit on the photophysical and electroluminescent properties of homoleptic iridium(III) complexes: a theoretical perspective 期刊论文  OAI收割 dalton transactions, 2014, 卷号: 43, 期号: 31, 页码: 11915-11924 Liu, Yuqi; Sun, Xiaobo; Wang, Ying; Wu,Zhijian 收藏  |  浏览/下载：18/0  |  提交时间：2015/10/19 LIGHT-EMITTING-DIODES  DENSITY-FUNCTIONAL THEORY  PHOSPHORESCENT IR(III) COMPLEXES  EFFECTIVE CORE POTENTIALS  ELECTRON-TRANSFER  AB-INITIO  CYCLOMETALATED PLATINUM(II)  OPTOELECTRONIC PROPERTIES  REORGANIZATION ENERGIES  MOLECULAR CALCULATIONS   Atomistic mechanism of charge separation upon photoexcitation at the dye-semiconductor interface for photovoltaic applications 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 29, 页码: 13196 Jiao, Y; Ding, ZJ; Meng, S 收藏  |  浏览/下载：23/0  |  提交时间：2013/09/17 SENSITIZED SOLAR-CELLS  ULTRAFAST ELECTRON INJECTION  DENSITY-FUNCTIONAL THEORY  AB-INITIO  ANATASE TIO2  MOLECULAR-DYNAMICS  FILMS  RECOMBINATION  ABSORPTION  SIMULATION   Structures and absorption spectra of sulfur cluster S(9) via first-principles calculations 期刊论文  OAI收割 Physica B-Condensed Matter, 2010, 卷号: 405, 期号: 1, 页码: 148-152 J. Q. Lan; X. R. Chen; Y. L. Bai; J. Zhu 收藏  |  浏览/下载：23/0  |  提交时间：2012/04/13 Density-functional theory  Langevin molecular dynamics  Annealing  technique  Sulfur clusters  local-density approximation  electron-gas  ab-initio  ci method  time  pseudopotentials  spectroscopy  molecules   Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 卷号: 114, 期号: 22, 页码: 10240 Schiros, T; Ogasawara, H; Naslund, LA; Andersson, KJ; Ren, J; Meng, S; Karlberg, GS; Odelius, M; Nilsson, A; Pettersson, LGM 收藏  |  浏览/下载：30/0  |  提交时间：2013/09/17 RAY-EMISSION SPECTROSCOPY  DENSITY-FUNCTIONAL THEORY  INITIO MOLECULAR-DYNAMICS  NEAR-AMBIENT CONDITIONS  AB-INITIO  DISSOCIATIVE ADSORPTION  CORRELATION-ENERGY  CLUSTERS (H2O)(N)  CU(110) SURFACE  ELECTRON-GAS   Effects of alloying Re and Ru in the edge-dislocation core of the Ni/Ni3Al interface 期刊论文  OAI收割 CHINESE PHYSICS B, 2009, 卷号: 18, 期号: 9, 页码: 3928-3933 作者:  Wang Cong;  Wang Chong-Yu   |  收藏  |  浏览/下载：48/0  |  提交时间：2021/02/02 nickel alloys  dislocation-structure  ab initio electron theory   Effects of alloying Re and Ru in the edge-dislocation core of the Ni/Ni(3)Al interface 期刊论文  OAI收割 Chinese Physics B, 2009, 卷号: 18, 期号: 9, 页码: 3928-3933 C. Wang; C. Y. Wang 收藏  |  浏览/下载：14/0  |  提交时间：2012/04/13 nickel alloys  dislocation-structure  ab initio electron theory  single-crystal superalloys  molecular-dynamics simulations  nickel-base  superalloy  gamma/gamma' interface  lattice theory  gamma'-phase  ni  1st-principles  energy  ni3al   First-principles study of vacancy formation and migration in clean and Re-doped gamma '-Ni(3)Al 期刊论文  OAI收割 Acta Materialia, 2009, 卷号: 57, 期号: 1, 页码: 224-231 X. Zhang; C. Y. Wang 收藏  |  浏览/下载：21/0  |  提交时间：2012/04/13 Nickel alloys  Bulk diffusion  Vacancies  Ab initio electron theory  augmented-wave method  molecular-dynamics  order relaxation  self-diffusion  ni3al  defect  energies  mechanism  kinetics  points   DFT study of adsorption site effect on surface-enhanced Raman scattering of neutral and charged pyridine-Ag-4 complexes 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2009, 卷号: 73, 期号: 2, 页码: 382 Liu, SS; Zhao, XH; Li, YZ; Chen, MD; Sun, MT 收藏  |  浏览/下载：29/0  |  提交时间：2013/09/17 DENSITY-FUNCTIONAL THEORY  INHOMOGENEOUS ELECTRON-GAS  RHODAMINE 6G  CHEMICAL MECHANISM  ABSORPTION-SPECTRA  SILVER ELECTRODE  AB-INITIO  SPECTROSCOPY  CLUSTERS  MOLECULES   Nitrogen defects and ferromagnetism in Cr-doped dilute magnetic semiconductor AlN from first principles 期刊论文  OAI收割 physical review b, 2008, 卷号: 78, 期号: 19, 页码: art. no. 195206 Shi LJ; Zhu LF; Zhao YH; Liu BG 收藏  |  浏览/下载：229/56  |  提交时间：2010/03/08 ab initio calculations  aluminium compounds  annealing  band structure  chromium  Curie temperature  density functional theory  exchange interactions (electron)  ferromagnetic materials  III-V semiconductors  semimagnetic semiconductors  total energy  vacancies (crystal)   Studies of the EPR g-shift of Cr(CN)(6) (3-) clusters due to crystal-field and charge-transfer mechanisms 期刊论文  OAI收割 Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences, 2007, 卷号: 62, 期号: 3-4, 页码: 218-220 X. X. Wu; W. L. Feng; W. Fang; W. C. Zheng 收藏  |  浏览/下载：19/0  |  提交时间：2012/04/13 electron paramagnetic resonance  crystal- and ligand-field theory  charge-transfer mechanism  Cr3+  [Cr(CN)(6)](3-)  atomic screening constants  hexacyanometalate complexes  spectroscopic  properties  scf functions  ligand-field  ab-initio  ions  cr(cn)(6)(3-)