Patrick H-L Sit

6PUBLICATIONS
3CO-AUTHORS
Photovoltaic power systemsElemental semiconductorsCatalysis and mechanisms of reactionsTheoretical quantum chemistry
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Publications (6)

|Oct 27, 2025
Exploring the Effects of Charge Modulation on the Reaction Energetics of the Oxygen Evolution Reaction in BiVO4‑Based Photocatalysts.

Hongjiang Chen, Patrick H-L Sit

|Feb 17, 2025
First-principles study of phase transition and the structural, energetic and electronic properties of pristine and transition metal (Fe/Co/Ti)-doped layered MoS2 as anode materials for sodium-ion batteries.

Wenlong Xi, Patrick H-L Sit

|Aug 01, 2022
Predicting the Mechanisms for H2O2 Activation and Phenol Oxidation Catalyzed by Modified Graphene-Based Systems Using Density Functional Theory.

Bo Gong, Calvin Ku, Han-Qing Yu

|Jun 18, 2021
Evaluation of optical band gaps and dopant state energies in transition metal oxides using oxidation-state constrained density functional theory.

Calvin Ku, Patrick H-L Sit

|Jul 25, 2019
Oxidation-State Constrained Density Functional Theory for the Study of Electron-Transfer Reactions.

Calvin Ku, Patrick H-L Sit

|Apr 22, 2017
Density Functional Theory and Car-Parrinello Molecular Dynamics Study of the Hydrogen-Producing Mechanism of the Co(dmgBF2)2 and Co(dmgH)2 Cobaloxime Complexes in Acetonitrile-Water Solvent.

Jinfan Chen, Patrick H-L Sit

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Frequent Collaborators

1 joint publications

Calvin Ku

1 joint publications

Han-Qing Yu

1 joint publications

Wenlong Xi