2016

David McDonald, Daniel Mauney, Daniel Leicht, Joshua Marks, Jake Tan, Jer-Lai Kuo, and Michael Duncan 

Trapping a Proton in Argon: Spectroscopy and Theory of the Proton-bound Argon Dimer and its Solvation 

J. Chem. Phys., 145, 231101 (2016) link

Po-Jen Hsu, Kun-Lin Ho, Sheng-Hsien Lin and Jer-Lai Kuo 

Exploration of hydrogen bond networks and potential energy surfaces of methanol clusters with a two-stage clustering algorithm

Phys. Chem. Chem. Phys., (accepted) link

Takuto Shimamori, Jer-Lai Kuo and Asuka Fujii 

Stepwise Internal Energy Control of Protonated Methanol Clusters by Using the Inert Gas Tagging

J. Phys. Chem. A, 120, 9203–9208 (2016) link

Jake A. Tan, Jheng-Wei Li, Cheng-chau Chiu, Hai Thi Huynh, Hsin-Yi Liao and Jer-Lai Kuo

Tuning the Vibrational Coupling of H3O+ by Changing Its Solvation Environment

Phys. Chem. Chem. Phys., 18, 30721–30732 (2016) link

Kun-Lin Ho, Lo-Yun Lee, Marusu Katada, Asuka Fujii, and Jer-Lai Kuo

An Ab-Initio Anharmonic Approach to Study Vibrational Spectra of Small Ammonia Clusters

Phys. Chem. Chem. Phys., 18, 30498–30506 (2016) link

Amol Deshmukh, Cheng-chau Chiu, Yun-Wen Chen, and Jer-Lai Kuo

Tunable Gravimetric and Volumetric Hydrogen Storage Capacities in Polyhedral Oligomeric Silsesquioxane Frameworks

ACS App. Mater. Interfaces, 8, 25219–25228 (2016) link

Ang-Yu Lu, Xiulin Yang, Chien-Chih Tseng, Shixiong Min, Shi-Hsin Lin, Chang-Lung Hsu, Henan Li, Hicham Idriss, Jer-Lai Kuo, Kuo-Wei Huang and, Lain-Jong Li

High-Sulfur-Vacancy Amorphous Molybdenum Sulfide as a High Current Electrocatalyst in Hydrogen Evolution

Small, 40, 5530–5537 (2016) link

Darwin B. Putungan, Shi-Hsin Lin, and Jer-Lai Kuo 

Metallic VS2 monolayer polytypes as potential Sodium ion battery anode via ab-initio random structure searching

ACS App. Mater. Interfaces, 8, 18754–18762 (2016) link

Jake A. Tan and Jer-Lai Kuo

A Closer Examination on the Coupling between Ionic Hydrogen Bond (IHB) Stretch and Flanking Group motions in (CH3OH)2H+:  The Strong Isotope Effects

Phys. Chem. Chem. Phys., 18, 14531-14542 (2016) link

Piin-Ruey Pan, En-Ping Lu, Jer-Lai Kuo and Ming-Kang Tsai 

The Spectroscopic Features of Ionized Water Medium: Theoretical Characterization and Implication Using (H2O)n+, n=3–4,Cluster Model 

J. Chin. Chem. Soc., 62, 488–498 (2016) link

Jake A. Tan and Jer-Lai Kuo

Why is the “donor-acceptor” stretching a sine qua non in understanding the vibrational signatures of ionic hydrogen bonds?

Progress of Theoretical Chemistry and Physics: Quantum Systems in Physics,Chemistry, and Biology: Selected Proceedings of QSCP-XX, (accepted) 

Xiaofeng Fan, W. T. Zheng, Jer-Lai Kuo, David J. Singh, C.Q. Sun and W. Zhu

Modulation of electronic properties from stacking orders and spin-orbit coupling for 3R-type MoS2

Sci. Rep., 6, 24140 (2016) link

Jiaxu Yan, Chao Li, Da Zhan, Lei Liu, Dezhen Shen, Jer-Lai Kuo, Shoushun Chen and Zexiang Shen

Graphene Homojunction: Closed-edge Bilayer Graphene by Pseudospin Interaction

Nanoscale, 8, 9102 (2016) link

Tzu-Jen Lin, Cheng-Rong Hsing, Ching-Ming Wei and Jer-Lai Kuo

Structure Prediction of the Solid Forms of Methanol: An Ab Initio Random Structure Searching Approach

Phys. Chem. Chem. Phys., 18, 2736 (2016) link