Harender S Dhattarwal, Yun-Wen Chen, Jer-Lai Kuo, Hemant K Kashyap
Mechanistic Insight on the Formation of a Solid Electrolyte Interphase (SEI) by an Acetonitrile-Based Superconcentrated [Li][TFSI] Electrolyte near Lithium Metal
J. Phys. Chem. C, 124, 27495–27502 (2020) link
Truong-Giang Vo, Chi-Chang Kao, Jer-Lai Kuo, Cheng-chau Chiu, Chia-Ying Chiang
Unveiling the crystallographic facet dependence of the photoelectrochemical glycerol oxidation on bismuth vanadate
Appl. Catal. B, 278, 119303 (2020) link
Qian-Rui Huang, Ying-Cheng Li, Tomoki Nishigori, Marusu Katada, Asuka Fujii, Jer-Lai Kuo
Vibrational Coupling in Solvated H3O+: Interplay between Fermi Resonance and Combination Band
J. Phys. Chem. Lett., 11, 10067-10072 (2020) link
Jake A Tan, Jer-Lai Kuo
Structure and Vibrational Spectra of ArnH+ (n = 2–3)
J. Phys. Chem. A., 124, 7726-7734 (2020) link
Trang Nguyen-Thuy, Phong Le-Hoang, Nam Hoang Vu, Thong Nguyen-Minh Le, Tan Le Hoang Doan, Jer-Lai Kuo, Toan T Nguyen, Thang Bach Phan, Duc Nguyen-Manh
Hydrogen adsorption mechanism of MOF-74 metal–organic frameworks: an insight from first principles calculations
RSC Adv., 10, 43940-43949 (2020) link
Diem Thi-Xuan Dang, Hieu Cao Dong, Yoshiyuki Kawazoe, Jer-Lai Kuo, Duc Nguyen-Manh
The electronic structures and magnetic properties of mixed-valence Fe-based metal–organic VNU-15 frameworks: a theoretical study from linear response DFT+U calculations
RSC Adv., 10, 34690-34701 (2020) link
Chih-Kai Lin, Qian-Rui Huang, Jer-Lai Kuo
Anharmonic coupling behind vibrational spectra of solvated ammonium: lighting up overtone states by Fermi resonance through tuning solvation environments
Phys. Chem. Chem. Phys., 22, 24059-24069 (2020) link
Chih-Kai Lin, Ryunosuke Shishido, Qian-Rui Huang, Asuka Fujii, Jer-Lai Kuo
Vibrational spectroscopy of protonated amine–water clusters: tuning Fermi resonance and lighting up dark states
Phys. Chem. Chem. Phys., 22, 22035-22046 (2020) link
Jun-Ying Feng, Yuan-Pern Lee, Chao-Yuan Zhu, Po-Jen Hsu, Jer-Lai Kuo, Takayuki Ebata
IR–VUV spectroscopy of pyridine dimers, trimers and pyridine–ammonia complexes in a supersonic jet
Phys. Chem. Chem. Phys., 22, 21520-21534 (2020) link
Bingbing Zhang, Shuo Yang, Qian-Rui Huang, Shukang Jiang, Rongjun Chen, Xueming Yang, Dong H. Zhang, Zhaojun Zhang, Jer-Lai Kuo, Ling Jiang
Deconstructing Vibrational Motions on the Potential Energy Surfaces of Hydrogen-Bonded Complexes
CCS Chem., 2, 829–835 (2020) link
Po-Jen Hsu, Takahiro Shinkai, Pei-Han Tai, Asuka Fujii, Jer-Lai Kuo
Effects of mixing between short-chain and branched-chain alcohols in protonated clusters
Phys. Chem. Chem. Phys., 22, 13223-13239 (2020) link
Cheng-chau Chiu, Chih-Kai Lin, Jer-Lai Kuo
Improved agreement between experimental and computational results for collision-induced dissociation mass spectrometry of cation-tagged hexoses
Phys. Chem. Chem. Phys., 22, 6928-6941 (2020) link
Thong Nguyen Minh Le, Cheng-chau Chiu, Jer-Lai Kuo
From the perspectives of DFT calculations, thermodynamic modeling, and kinetic Monte Carlo simulations: the interaction between hydrogen and Sc2C monolayers
Phys. Chem. Chem. Phys., 22, 4387-4401 (2020) link
Diem Thi-Xuan Dang, Huong Thi-Diem Nguyen, Nam Thoai, Jer-Lai Kuo, Nhung Tuyet Thi Nguyen, Duc Nguyen-Manh
Mechano-chemical stability and water effect on gas selectivity in mixed-metal zeolitic imidazolate frameworks: a systematic investigation from van der Waals corrected density functional theory
Phys. Chem. Chem. Phys., 22, 1598-1610 (2020) link