Duy Le

Research Scientist
Selected Publications
On the role of metal cations in CO2 electrocatalytic reduction
D. Le and T. S. Rahman
Nature Catalysis 5, 977-978 (2022)
Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity
W. Tan, S. Xie, D. Le, W. Diao, M. Wang, K.-B. Low, D. Austin, S. Hong, F. Gao, L. Dong, L. Ma, S. N. Ehrlich, T. S. Rahman and F. Liu
Nature Communications 13, 7070 (2022)
Toward alcohol synthesis from CO hydrogenation on Cu(111)-supported MoS2 - predictions from DFT+KMC
T. B. Rawal, D. Le, Z. Hooshmand and T. S. Rahman
The Journal of Chemical Physics 154, 174701 (2021)
Asymmetric Design of Spin-Crossover Complexes to Increase the Volatility for Surface Deposition
M. Gakiya-Teruya, X. Jiang, D. Le, Ö. Üngör, A. J. Durrani, J. J. Koptur-Palenchar, J. Jiang, T. Jiang, M. W. Meisel, H.-P. Cheng, X.-G. Zhang, X.-X. Zhang, T. S. Rahman, A. F. Hebard and M. Shatruk
Journal of the American Chemical Society 143, 14563-14572 (2021)
Pt-dipyridyl tetrazine metal-organic network on the Au(100) surface: insights from first principles calculations
D. Le and T. S. Rahman
Faraday Discuss 204, 83-95 (2017)
Single-Layer MoS2 with Sulfur Vacancies: Structure and Catalytic Application
D. Le, T. B. Rawal and T. S. Rahman
The Journal of Physical Chemistry C 118, 5346-5351 (2014)
Single layer MoS2 on the Cu(111) surface: First-principles electronic structure calculations
D. Le, D. Z. Sun, W. H. Lu, L. Bartels and T. S. Rahman
Physical Review B 85, 075429 (2012)
Reactivity of the Cu2O(100) surface: Insights from first principles calculations
D. Le, S. Stolbov and T. S. Rahman
Surface Science 603, 1637-1645 (2009)
Department of Physics, University of Central Florida
4111 Libra Drive - Physical Sciences Bldg. 430 - Orlando, FL 32816-2385
Fax: 407-823-5112 Email: duy.le[at]ucf.edu