研究獎勵

學年期 標題 更新時間
096 / 1 Sorption Kinetic of Toluene in Humic Acid: A Computational Approach 2011/06/09
097 / 1 Density Functional Study of the Interfacial Electron Transfer Pathway for Monolayer-adsorbed InN on the TiO2 Anatase(101) Surface 2011/06/09
096 / 1 Molecular dynamic simulations of the sorption of toluene in a dry humic acid model: A preliminary study 2011/06/09
098 / 1 DFT study of selective a-fluoride elimination of adsorbed CF3(ads) on both Ag(111) and Cu(111) surfaces 2011/06/09
090 / 1 Silane吸附在Si(100)表面的密度汎涵研究 2011/06/09
094 / 1 DFT study of the formation of CH2=CF2 through both methylene insertion and β-fluoride elimination on the Ag(111) surface 2011/06/09
093 / 1 Density Functional Study of XH4(X=Si and Ge) Reactivity upon Dissociative Adsorption Onto the Si(100) Surface 2011/06/09
088 / 1 Density Functional Study of Structural and Electronic Properties of Silaue Absorbed Si(100) Surface 2011/06/09
093 / 1 Density functional study of gas-surface reactivity:GeH4 dissociative adsorption onto semiconductor surfaces 2011/06/09
089 / 1 Total energy calculations for silane dissociative chemisorption onto Si(100)and Si(111)surfaces 2011/06/09
095 / 1 DFT Study of Surfaces Reactivity of CX3I (X=H and F) with CH2I2 to Form CH2=CX2 on the Ag(111) surface 2011/06/09
093 / 1 Density Functional study of the Effect of SiH4/GeH4 and Si(001)/Ge(001) on Gas-Surface Reactivity during Initial Dissociative Adsorption 2011/06/09
094 / 1 The dependence of dynamic variables on gas-surface reactivity during direct dissociative adsorption of GeH4 onto Ge(001) surface 2011/06/09
100 / 1 DFT study of self-coupling reaction of CF2(ads) coadsorbed on Cu(111) surface for forming CF2=CF2(g) 2012/10/23
101 / 1 Temperature Dependence of Vibrational Modes of CH3-C≡C(ads) and I(ads) Coadsorbed on Ag(111): Ab Initio Molecular Dynamics Approach 2013/05/15
103 / 1 Chemical mechanism of surface-enhanced Raman scattering spectrum of pyridine adsorbed on Ag cluster: Ab initio molecular dynamics approach 2015/03/13
103 / 1 Simulated SERS spectra of 4,4′-bipyridine/gold single molecule junction in different conductance states: ab initio molecular dynamics approach 2015/03/13
103 / 1 Ab Initio Molecular Dynamics Study of Ethylene Adsorption onto Si(001) Surface: Short-time Fourier Transform Analysis of Structural Coordinate Autocorrelation Function 2015/03/13
105 / 1 Temperature effects on adsorption and diffusion dynamics of CH3CH2(ads) and H3C–C≡C(ads) on Ag(111) surface and their self-coupling reactions: Ab initio molecular dynamics approach 2017/05/18
105 / 1 A nano Ag-5 cluster tip probing the vertical transfer of CO(ads) adsorbed on Ag(110) with simulated inelastic electron tunneling spectroscopy 2017/05/18
106 / 1 Ab initio molecular dynamics study for C–Br dissociation within BrH2C–C≡C(ads) adsorbed on an Ag(111) surface: a short-time Fourier transform approach 2018/07/26
106 / 1 A novel theoretical study of thermally-induced reaction and vibration dynamics of methanol dissociative adsorption onto a Si(001) surface 2018/07/26