[HTML][HTML] Computational modeling of green hydrogen generation from photocatalytic H2S splitting: Overview and perspectives

Y Li, D Bahamon, M Sinnokrot, K Al-Ali… - … of Photochemistry and …, 2021 - Elsevier
Hydrogen plays an important role in develo** a clean and sustainable future energy
scenario. Substantial efforts to produce green hydrogen from water splitting, biomass and …

Review of catalysts, substrates, and fabrication methods in catalytic hydrogen combustion with further challenges and applications

LJ Yuan, ZC Zhao, WQ Wang, YF Wang, YJ Liu - Energy & Fuels, 2024 - ACS Publications
Hydrogen energy as a clean energy source has been widely studied in recent years.
Catalytic hydrogen combustion (CHC) can be used to reduce nitrogen oxide emissions and …

Review of Theoretical and Computational Studies of Bulk and Single Atom Catalysts for H2S Catalytic Conversion

Y Liu, Y Li, Q Yu, S Roy, X Yu - ChemPhysChem, 2024 - Wiley Online Library
Catalytic conversion of hydrogen sulfide (H2S) plays a vital role in environmental protection
and safety production. In this review, recent theoretical advances for catalytic conversion of …

Microscopic functionality of FeN4 sites in polymeric carbon nitride for efficient H2S oxidation

Y Tong, C Wei, J Wang, Y Li, C Yang, Y Zhang… - Applied Surface …, 2022 - Elsevier
The development of the low-cost and efficient catalysts for H 2 S removal is essential and
provides an alternative to the traditional Claus process. However, the microscopic …

Comparative First-Principles Study on Tetravalent Ion-Incorporated MTW-Type Zeolites

C **, X Zhang, ZH Lu, J Zhou, L Zhou… - The Journal of …, 2023 - ACS Publications
The density functional theory (DFT) with dispersion correction was used to study the
tetravalent metal (Ti, Zr, Ge, Sn)-incorporated MTW-type (Mobil-TWelve) zeolites that are …

[PDF][PDF] Rational Design of Novel Photo-catalysts for Hydrogen Generation and Carbon Dioxide Reduction by Molecular Modeling Combined with Machine Learning

Y Li - 2023 - khazna.ku.ac.ae
PhD Dissertation, PhD in Engineering, Department of Chemical Engineering, Khalifa
University of Science and Technology, United Arab Emirates, July 2023. Greenhouse gas …

[PERNYATAAN][C] C: Photochemistry Reviews

Y Li, D Bahamon, M Sinnokrot, K Al-Ali, G Palmisano