關鍵字查詢 | 類別:期刊論文 | 關鍵字 | 關鍵字:Calculations

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序號 學年期 教師動態
1 107/1 物理系 莊程豪 副教授 期刊論文 發佈 The Role of the Copper Oxidation State in the Electrocatalytic Reduction of CO2 into Valuable Hydrocarbons , [107-1] 關鍵字:Charge transport limitation;CO2RR;Copper carbonate passivation layer;DFT calculations;Electrocatalytically active reduced copper oxides;Electrodeposited prepared copper oxides;In situ X-ray spectroscopy
2 107/1 化學系 林志興 教授 期刊論文 發佈 Simulating surface reaction dynamics , [107-1] 關鍵字:CATALYST;CONDUCTIVE SURFACE;DYNAMIC VIBRATIONAL MODES OF MOLECULES;INELASTIC ELECTRON TUNNELLING SPECTROSCOPY (IETS);MOLECULAR ADSORPTION;MOLECULAR SPECIES;NANOCLUSTERS;PALLADIUM AND SILVER SUBSTRATES;QUANTUM SURFACE REACTIONS;RAMAN SPECTROSCOPY;SCANNING TUNNELLING MICROSCOPY (STM);SHORT TIME FOURIER TRANSFORMATION CALCULATIONS;SOLAR CELLS;SURFACE ADDITIVES;SURFACE-DOSED;VIBRATIONAL SPECTROSCOPY;WEAKER FORCE VAN DER WAAL INTERACTIONS
3 102/2 物理系 李明憲 副教授 期刊論文 發佈 Layered B-site cation ordering: A key factor in ferrimagnetism of Y2MnCrO6 , [102-2] 關鍵字:Cr-doped manganite;X-ray diffraction;First-principles calculations;Ferrimagnetics;Semi-covalent exchange interaction
4 90/1 土木系 楊長義 教授 期刊論文 發佈 Reassessing the Joint Roughness Coefficient (JRC) Estimation Using Z2 , [90-1] 關鍵字:Calculations;Errors;Estimation;Shear strength;Statistical methods;Testing;Joint roughness coefficient;Rock engineering;Rock mechanics
5 91/2 物理系 李明憲 副教授 期刊論文 發佈 Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on W{100} , [91-2] 關鍵字:Adsorption; Atoms; Calculations; Carrier concentration; Chemical bonds; Computer simulation; Low energy electron diffraction; Molecules; Nitrogen; Probability density function; Tungsten; Vacuum; Electronegativity; First principle total energy calculations; Surface science; Work function; Surface chemistry
6 100/1 物理系 陳俊男 教授 期刊論文 發佈 Spin splitting in bulk wurtzite AlN under biaxial strain , [100-1] 關鍵字:aluminium compounds; band structure; Brillouin zones; compressive strength; III-V semiconductors; k.p calculations; LCAO calculations; spin-orbit interactions; tensile strength; wide band gap semiconductors
7 100/2 化學系 徐秀福 教授 期刊論文 發佈 Formation of Columnar Liquid Crystals on the Basis of Unconventional Triazine-Based Dendrimers by the C3-Symmetric Approach , [100-2] 關鍵字:dendrimers; liquid crystals; molecular mechanics calculations; nitrogen heterocycles
8 94/2 物理系 張經霖 教授 期刊論文 發佈 Electronic structure and surface structure of Cu2S nanorods from polarization dependent X-ray absorption spectroscopy , [94-2] 關鍵字:Cu2S nanorods;Electronic structure;X-ray spectroscopy;Ab initio multiple-scattering calculations
9 95/2 物理系 李明憲 副教授 期刊論文 發佈 Surface structures of atomic hydrogen adsorbed on Cu(1 1 1) surface studied by density-functional-theory calculations , [95-2] 關鍵字:Adsorption; Atomic hydrogen; Cu(1 1 1); Density-functional-theory calculations; Reconstruction; Adsorption energy
10 87/2 物理系 李明憲 副教授 期刊論文 發佈 A density functional theory study on the interaction between chemisorbed CO and S on Rh(111) , [87-2] 關鍵字:Carbon monoxide;Density functional calculations;Poisoning effects;Rhodium;Sulfu
11 86/2 物理系 李明憲 副教授 期刊論文 發佈 Pressure-induced change of the stereochemical activity of lone electron pair , [86-2] 關鍵字:Ab initio calculations; Density functional theory; Gradient approximations; Phase transitions; Physics demonstrations
[第一頁][上頁]1[次頁][最末頁]目前在第 1 頁 / 共有 11 筆查詢結果