Education
Ph.D in Physics, Massachusetts Institute of Technology, USA
Staff title
Associate Dean (Undergraduate Studies)
Associate Professor
Dr. Patrick Sit is an associate professor at the School of Energy and Environment at the City University of Hong Kong. He received his undergraduate degree in Physics from the University of Oxford and Ph.D in Physics from MIT. Prior to joining CityU, he was an associate research scholar in the Department of Chemistry at Princeton University and a post-doctoral associate in the Department of Chemistry at the University of Pennsylvania.
Other Information
Research Interests:Dr. Patrick Sit is interested in applying state-of-the-art first-principles (ab initio) simulation methods and developing novel computational methodologies to study fundamental reaction processes in energy and environmentally-related problems. Current interests include:
Density functional theory and first-principles (ab initio) molecular dynamics study and development of catalysts for energy storage and conversion.
Stability and surface reactions of the hybrid inorganic-organic perovskite materials.
Graphite intercalation compounds in dual-ion batteries.
Redox chemistry of transition metal-containing compounds.
Ab initio molecular dynamics study of structural and dynamical properties of liquid systems.
Development of novel first-principles methodologies towards more accurate and efficient study of redox and electron-transfer processes
Positions availableThere are currently openings for postdoctoral associates, postgraduate students and research assistants. Experience in first-principles (ab initio) methods and/or molecular dynamics simulations is a plus but not required. Effective written and oral communication skills in English are essential. Postdoctoral associate candidates must have a Ph.D degree in Physics, Chemistry, Materials Science, or a related field at the time of hire. Candidates for postgraduate studentships or research assistant positions must have a Master's or Bachelor's degree in Physics, Chemistry, Materials Science, or a related field at the time of hire.
Successful candidates will conduct research in the computational quantum mechanical study of photovoltaic and electrocatalytic systems with applications in energy. Interested individuals are encouraged to submit their CV to Dr. Patrick Sit, patrick.h.sit@cityu.edu.hk . Review of applications will begin immediately and will continue until the positions are filled. Inquires about the positions should also be sent to Dr. Patrick Sit.
City University of Hong Kong is an equal opportunity employer and we are committed to the principle of diversity. We encourage applications from all qualified candidates, especially applicants who will enhance the diversity of our staff.
PublicationsPeer-review articlesC. Ku, P.H.-L. Sit “Oxidation-state constrained density functional theory for the study of electron-transfer reactions”J. Chem. Theory Comput. 15, 4781 (2019).
W. Zhou, W. Y. Tong, Y. Wang, D. Y. W. Yu, P.H.-L. Sit “Joint theoretical and experimental study on the effects of the salts in the graphite-based dual-ion batteries” J. Phys. Chem. C 123, 18132 (2019).
X. Lv, C. Hu, J. Shang, P. H.-L. Sit, F. L. Y. Lam, W.Y. Teoh “Enhanced photoelectrochemical charge transfer on Mn-doped CdS/TiO2 nanotube arrays: The roles of organic substrates” Catal. Today 335, 468 (2019).
X. Lv, I. Rodriguez, C. Hu, J. Shang, P.H.-L. Sit, C. Ye, G. Oskam, W. Y. Teoh “Modulated anodization synthesis of Sn-doped iron oxide with enhanced solar water splitting performance” Mater. Today Chem. 12, 7 (2019).
J. Chen, P. H.-L. Sit, “Thermodynamic properties of hydrogen-producing cobaloxime catalysts: a density functional theory analysis” ACS Omega 4, 582 (2019).
L. Zhang, P. H.-L. Sit, “Ab initio study of the dynamics of electron trapping and detrapping processes in the CH3NH3PbI3 perovskite” J. Mater. Chem. A 7, 2135 (2019).
B. Su, J. Zhang, M. Fujita, W. Zhou, P. H.-L. Sit, D. Y. W. Yu “Na2SeO3: A Na-ion battery positive electrode material with high capacity” J. Electrochem. Soc. 166, A5075 (2019).
J. Zhang, B. Su, A. Kitajou, M. Fujita, Y. Cui, M. Oda, W. Zhou, P. H.-L.Sit, D. Y. W. Yu, “Activating abnormal capacity in stoichiometric NaVO3 as cathode material for sodium-ion battery” J. Power Sources 400, 377 (2018).
J. Chen, P. H.-L. Sit, “Ab initio study of ligand dissociation/exchange and the hydrogen production process of the Co(dmgH)2(py)Cl cobaloxime in the acetonitrile-water solvent” Catalysis Today. 314, 179 (2018).
Y. She, J. Chen, C. Zhang, Z. Lu, M. Ni, P. H.-L. Sit, M. K. Leung, “Nitrogen-doped graphene derived from ionic liquid as metal-free catalyst for oxygen reduction reaction and its mechanisms” Appl. Energy. 225, 513 (2018).
F. Xu, J. Chen, S. Kalytchuk, L. Chu, Y. Shao, D. Kong, K.-H. Chu, P. H.-L.Sit, W. Y. Teoh, “Supported gold clusters as effective and reusable photocatalysts for the abatement of endocrine-disrupting chemicals under visible light”, J. Catal. 354, 1-12 (2017).
J. Chen, P. H.-L. Sit, “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” J. Phys. Chem. A 121, 3515 (2017).
L. Zhang, P. H.-L. Sit, “Ab initio study of the role of iodine in the degradation of CH3NH3PbI3” J. Mater. Chem. A. 5, 45, 23976 (2017).
J. A. Dreyer, P. Li, L. Zhang, G. K. Beh, R. Zhang, P. H.-L. Sit, W. Y. Teoh, “Influence of the oxide support reducibility on the CO2 methanation over Ru-based catalysts” Appl. Catal. B: Environ., 219, 715 (2017).
L. Zhang, P. H.-L. Sit, “Ab initio study of the role of oxygen and excess electrons in the degradation of CH3NH3PbI3”, J. Mater. Chem. A 5, 9042 (2017).
F. Xu, R. D. Webster, J. Chen, J., T. T. Y. Tan, P. H.-L. Sit, W. Y. Teoh, “Revisiting the mechanistic reduction of hexavalent chromium ion: The parallel photodecomposition and photocatalytic reduction of chromate(VI) esters” Appl. Catal. B: Environ. 210, 444 (2017).
L. Zhang, P. H.-L. Sit, "Ab initio static and dynamic study of CH3NH3PbI3 degradation in the presence of water, hydroxyl radicals, and hydroxide ions
Oxidation states "naturally
Polyhedron 114, 128 (2016).
L. Zhang, P. H.-L. Sit, “Ab initio study of interaction of water, hydroxyl radicals and hydroxide ions with CH3NH3PbI3 and CH3NH3PbBr3 surfaces”, J. Phys. Chem. C 119, 22370 (2015).
J. Chen, P. H.-L. Sit, "Ab initio study of the structural properties of acetonitrile–water mixtures
Preferential oxidation of carbon monoxide over Pt-FeOx/CeO2 synthesized by two-nozzle flame spray pyrolysis
Visualizing the mixed bonding properties of liquid boron with high-resolution X-ray Compton scattering
Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase
mailto:patrick.h.sit@cityu.edu.hk">patrick.h.sit@cityu.edu.hk
Time slots for consultation
Research Interests
Catalysts for energy storage and conversion
Photovoltaic materials
Batteries
Catalysts for environmental applications
Electron transfer reactions
Density functional theory
First-principles (ab initio) molecular dynamics
