340701. Computational chemistry
| Title | 340701. Computational chemistry |
|---|---|
| Parent | 3407. Theoretical and computational chemistry |
Latest research outputs
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Electrocatalytic Reduction of Nitric Oxide to Ammonia on Defective ZnIn2S4
Nasir, Md Tarikal, Fang, Qingchao, Wijethunge, Dimuthu, Zhou, Xiuwen and Du, Aijun. 2025. "Electrocatalytic Reduction of Nitric Oxide to Ammonia on Defective ZnIn2S4." Advanced Energy and Sustainability Research. https://doi.org/10.1002/aesr.202500152Article
Theoretical insights of nitrate reduction to ammonia on partially reduced In2O3 surfaces
Fang, Qingchao, Nasir, Md Tarikal, Wijethunge, Dimuthu, Han, Yun, Kang, Xuxin, Yan, Cheng, O’ Mullane, Anthony P., Yin, Hanqing and Du, Aijun. 2025. "Theoretical insights of nitrate reduction to ammonia on partially reduced In2O3 surfaces." Molecular Catalysis. 577. https://doi.org/10.1016/j.mcat.2025.114991Article
Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia
Fang, Qingchao, Nasir, Md Tarikal, Wijethunge, Dimuthu, Kang, Xuxin, Han, Yun, Yan, Cheng, O'Mullane, Anthony P., Yin, Hanqing and Du, Aijun. 2024. "Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia." The Journal of Physical Chemistry C. 129 (1), pp. 214-321. https://doi.org/10.1021/acs.jpcc.4c06598Article