Chung-Huai Chang, Xiaofeng Fan, Lain-Jong Li, and Jer-Lai Kuo
Band Gap Tuning of Graphene by Adsorption of Aromatic Molecules
J. Phys. Chem. C, 116, 13788 (2012) link
Xiaofeng Fan, W.T. Zheng, and Jer-Lai Kuo
Adsorption and Diffusion of Li on Pristine and Defective Graphene
ACS Appl. Mater. Interfaces, 4, 2432 (2012) link
Ryunosuke Shishido, Jer-Lai Kuo, and Asuka Fujii
Structures and Dissociation Channels of Protonated Mixed Clusters around a Small Magic Number: Infrared Spectroscopy of ((CH3)3N)n-H+-H2O (n=1-3)
J. Phys. Chem. A, 116, 6740 (2012) link
Xiao-Feng Fan, W.T. Zheng, Zexiang Shen, Ai-Qun Liu, Jer-Lai Kuo
Band gap opening of graphene by doping small boron nitride domain
Nanoscale. 4, 2157 (2012) link
Ohki Kambara, Kaito Takahashi, Michitoshi Hayashi and Jer-Lai Kuo
Assessment of Density Functional Theory to Calculate Phase Transition Pressure of Ice
Phys. Chem. Chem. Phys. 14, 11484 (2012) link
Piin-Ruey Pan, You-Sheng Lin, Ming-Kang Tsai, Jer-Lai Kuo and Jeng-Da Chai
Assessment of density functional approximations for the hemibonded structure of water dimer radical cation
Phys. Chem. Chem. Phys. 14, 10705 (2012) link
Jingyun Zhang, Jer-Lai Kuo, and T. Iitaka
First principles molecular dynamics study on filled ice hydrogen hydrate
J. Chem. Phys. 137, 084505 (2012) link
Mostafa M. Ellabaan, Yew-Soon Ong, Quoc Chinh Nguyen, and Jer-Lai Kuo
Evolutionary Discovery of Transition States in Water Clusters
J. Theor. Comput. Chem, 11, 965 (2012) link
Hongyu Wu, Xiao-Feng Fan, and Jer-Lai Kuo
Metal free hydrogenation reaction on carbon doped boron nitride fullerene: a DFT study on the kinetic issue
Int. J. Hydrogen Energy. 37, 14336 (2012) link
Ming-Kang Tsai, Jer-Lai Kuo, and Jian-Ming Lu
The Dynamics and Spectroscopic Fingerprint of Hydroxide Radical Generation through Water Dimer Ionization: Ab Initio Molecular Dynamic Simulation Study
Phys. Chem. Chem. Phys, 14, 13402 (2012) link
X. F. Fan, Viorel Chihaia, W.T. Zheng, Z.X. Shen, and Jer-Lai Kuo
Interaction between graphene and SiO2 surface
J. Phys.: Condens. Matter. 24, 305004 (2012) link
Chung-Huai Chang, Xiaofeng Fan, Lain-Jong Li, and Jer-Lai Kuo, "Band Gap Tuning of Graphene by Adsorption of Aromatic Molecules", J. Phys. Chem. C, 116, 13788 (2012) link
Xiaofeng Fan, W.T. Zheng, and Jer-Lai Kuo, "Adsorption and Diffusion of Li on Pristine and Defective Graphene", ACS Appl. Mater. Interfaces, 4, 2432 (2012) link pdf
Ryunosuke Shishido, Jer-Lai Kuo, and Asuka Fujii, "Structures and Dissociation Channels of Protonated Mixed Clusters around a Small Magic Number: Infrared Spectroscopy of ((CH3)3N)n-H+-H2O (n=1-3)", J. Phys. Chem. A, 116, 6740 (2012) link
Xiao-Feng Fan, W.T. Zheng, Zexiang Shen, Ai-Qun Liu, Jer-Lai Kuo, "Band gap opening of graphene by doping small boron nitride domain", Nanoscale. 4, 2157 (2012) link
Ohki Kambara, Kaito Takahashi, Michitoshi Hayashi and Jer-Lai Kuo, "Assessment of Density Functional Theory to Calculate Phase Transition Pressure of Ice", Phys. Chem. Chem. Phys. 14, 11484 (2012) link
Piin-Ruey Pan, You-Sheng Lin, Ming-Kang Tsai, Jer-Lai Kuo and Jeng-Da Chai, "Assessment of density functional approximations for the hemibonded structure of water dimer radical cation", Phys. Chem. Chem. Phys. 14, 10705 (2012) link
Jingyun Zhang, Jer-Lai Kuo, and T. Iitaka, "First principles molecular dynamics study on filled ice hydrogen hydrate'', J. Chem. Phys. 137, 084505 (2012) link
Mostafa M. Ellabaan, Yew-Soon Ong, Quoc Chinh Nguyen, and Jer-Lai Kuo, "Evolutionary Discovery of Transition States in Water Clusters'', J. Theor. Comput. Chem, 11, 965 (2012) link
Hongyu Wu, Xiao-Feng Fan, and Jer-Lai Kuo, "Metal free hydrogenation reaction on carbon doped boron nitride fullerene: a DFT study on the kinetic issue'', Int. J. Hydrogen Energy. 37, 14336 (2012) link
Ming-Kang Tsai, Jer-Lai Kuo, and Jian-Ming Lu " The Dynamics and Spectroscopic Fingerprint of Hydroxide Radical Generation through Water Dimer Ionization: Ab Initio Molecular Dynamic Simulation Study'', Phys. Chem. Chem. Phys, 14, 13402 (2012) link
X. F. Fan, Viorel Chihaia, W.T. Zheng, Z.X. Shen, and Jer-Lai Kuo, "Interaction between graphene and SiO2 surface", J. Phys.: Condens. Matter. 24, 305004 (2012) link