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Duy Le
Research Scientist
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| 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) | |||