Jake A. Tan and Jer-Lai Kuo
Strong Quantum Coupling in the Vibrational Signatures of a Symmetric Ionic Hydrogen Bond: The Case of (CH3OH)2H+
J. Phys. Chem. A, 119, 11320–11328 (2015) link
Jheng-Wei Li, Masato Morita, Kaito Takahashi, and Jer-Lai Kuo
Features in Vibrational Spectra Induced by Ar-tagging for H3O+Arm m=0-3
J. Phys. Chem. A, 119, 10887–10892 (2015) link
Jiaxu Yan, Juan Xia, Xingli Wang, Lei Liu, Jer-Lai Kuo, Beng Kang Tay, Shoushun Chen, Wu Zhou, Zheng Liu, and Ze Xiang Shen
Stacking-Dependent Interlayer Coupling in Trilayer MoS2 with Broken Inversion Symmetry
Nano Lett., 15, 8155-8161 (2015) link
Ming-Han Liu, Yun-Wen Chen, Xiaoyan Liu, Jer-Lai Kuo, Ming-Wen Chu, and Chung-Yuan Mou
Defect-Mediated Gold Substitution-doping in ZnO Mesocrystals and its Catalysis in CO Oxidation
ACS Catal., 6, 115-122 (2015) link
Shi-Hsin Lin and Jer-Lai Kuo
Activating and tuning basal planes of MoO2, MoS2, and MoSe2 for hydrogen evolution reaction
Phys. Chem. Chem. Phys., 17, 29305 (2015) link
Amol Deshmukh, Yun-Wen Chen, and Jer-Lai Kuo
Tetrahedral Silsesquioxane Framework: A Feasible Candidate for Hydrogen Storage
J. Phys. Chem. C, 119, 23820–23829 (2015) link
Ying-Cheng Li, Toru Hamashima, Ryoko Yamazaki, Tomohiro Kobayashi, Yuta Suzuki, Kenta Mizuse, Asuka Fujii, and Jer-Lai Kuo
Hydrogen-bonded ring closing and opening of protonated methanol clusters H+(CH3OH)n (n = 4 - 8) with the inert gas tagging
Phys. Chem. Chem. Phys., 17, 22042-22053 (2015) link
H. Mineo, Y. L. Niu, J. L. Kuo, S. H. Lin and Y. Fujimura
Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions
J. Chem. Phys., 143, 084303 (2015) link
Darwin Barayang Putungan, Shi-Hsin Lin and Jer-Lai Kuo
First-principles examination of conducting monolayer 1T′-MX2 (M = Mo, W; X = S, Se, Te): Promising catalysts for hydrogen evolution reaction and its enhancement by strain
Phys. Chem. Chem. Phys., 17, 21702-21708 link
Ming-Han Liu, Yun-Wen Chen, Jer-Lai Kuo, and C. R. Chris Wang
Distinct reactivities on segmented selenium nanorods
Chem. Comm., 51, 13783-13786 (2015) link
Ren-Jie Lin, Quoc Chinh Nguyen, Yew-Soon Ong, Kaito Takahashi and Jer-Lai Kuo
Temperature Dependent Structural Variations of OH–(H2O)n n=4-7: Effects on Vibrational and Photoelectron Spectra
Phys. Chem. Chem. Phys., 17, 19162-19172 (2015) link
Ryunosuke Shishido, Ying-Cheng Li, Chen-Wei Tsai, Dan Bing, Asuka Fujii, and Jer-Lai Kuo
An Infrared Spectroscopic and Theoretical Study on (CH3)3N-H+-(H2O)n, n = 1 – 22:
Highly Polarized Hydrogen Bond Networks of Hydrated Clusters
Phys. Chem. Chem. Phys., 17, 25863-25876 (2015) link
Xiao-Feng Fan, Chung-Huai Chang, W-T Zheng, Jer-Lai Kuo, and David J. Singh
The Electronic Properties of Single-Layer and Multilayer MoS2 under High Pressure
J. Phys. Chem. C, 119,10189–10196 (2015) link
Qing-Fang Li, C-G Duan, X-G Wan, and Jer-Lai Kuo
Theoretical Prediction of Anode Materials in Li-Ion Batteries on Layered Black and Blue Phosphorus
J. Phys. Chem. C, 119, 8662–8670 (2015) link
Darwin Barayang Putungan, Shi-Hsin Lin, Ching-Ming Wei, and Jer-Lai Kuo
Li adsorption, hydrogen storage and dissociation using monolayer MoS2: An ab-initio random structure searching approach
Phys. Chem. Chem. Phys., 17, 11367-11374 (2015) link
Xiao-Feng Fan, W-T Zheng, Jer-Lai Kuo, and David J. Singh
Structural stability of single-layer MoS2 under large strain
J. Phys.: Condens. Matter, 27, 10189–10196 (2015) link
Liang-Chun Liu, and Jer-Lai Kuo
A LAMMPS implementation of volume-temperature replica exchange molecular dynamics
Comput. Phys. Commun., 189, 119-127 (2015) link
Jake A. Tan, Jheng-Wei Li, and Jer-Lai Kuo
Proton Quantum Confinement on Symmetric Dimers of Ammonia, and Lower Amine Homologs
Frontiers in Quantum Methods and Applications in Chemistry and Physics, link