[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 developing a clean and sustainable future energy
scenario. Substantial efforts to produce green hydrogen from water splitting, biomass and …

[HTML][HTML] Searching for the rate determining step of the H2S reaction on Fe (110) surface

SO Akande, ET Bentria, O Bouhali, F El-Mellouhi - Applied Surface Science, 2020 - Elsevier
The adsorption and dissociation of H 2 S on Fe surface play a key role in carburization
condition and a detailed understanding of the kinetics and rate-determining step of this …

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 …

Quantum chemical DFT study of molecular adsorption of H2S on clean and chemically modified Au (1 1 0) surfaces

TT Zhang, QL Tang, MY Yao, C Chen, XX Duan… - Applied Surface …, 2021 - Elsevier
The non-dissociative adsorption of H 2 S on Au (1 1 0) and the coadsorption with SH, S and
H have been examined by periodic density functional theory (DFT) to indirectly give useful …

First-principles study of H2S adsorption and dissociation on the Ni (111) and Cl-covered Ni (111) surfaces

W Chen, T Li, L Peng, G Shen, Z Jiang, B Huang… - Computational and …, 2024 - Elsevier
This article is based on density functional theory to calculate and study the adsorption and
dissociation of H 2 S on Ni (1 1 1) and Cl-covered Ni (1 1 1) surfaces. The calculation results …

Selective adsorption of octadecylamine hydrochloride on the surface of KCl crystal: Adsorption energy based on density functional theory

E Li, P Ye, W Cheng, H Cheng, Z Du, F Cheng - Adsorption, 2019 - Springer
Flotation has become a significant technique for the KCl separation from NaCl-containing
complex systems, but the true nature of adsorption selectivity of collector on the crystal …

Selection and optimization of composting packing media for biofiltration of mixed waste odors

Y Yu, J Hou, M Li, F Meng, B Xi, D Liu, M Ye - Waste and Biomass …, 2020 - Springer
Biological filtration is an effective biological treatment method for odorous pollutants. The
aim of this study was to determine the relationship between the humification degrees of the …

The Density Functional Theory Study on the Adsorption and Dissociation of NO on Pd (111) Surface

MY Wang, Q Wu - IOP Conference Series: Earth and …, 2020 - iopscience.iop.org
Based on the calculation of density functional theory, the adsorption and dissociation of NO
on Pd (111) surface were systematically studied. The results show that the most stable …

Adsorption Process Development for the Separation of Toxic Gaseous Components

KF Blender - 2020 - openhsu.ub.hsu-hh.de
Carbon monoxide, hydrogen sulphide, ammonia and cyclohexane as volatile organic
compounds pose significant health hazards when inhaled with ambient air. Adsorption is a …

[引用][C] C: Photochemistry Reviews

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