Structure and surface chemistry of gold-based model catalysts

J Gong - Chemical reviews, 2012 - ACS Publications
Gold ([Xe] 4f 14 5d 10 6s 1) is one of the most ancient themes of investigation in science and
arts, and its renaissance now leads to an exponentially increasing number of publications …

[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 …

DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene

H Zhang, X Luo, H Song, X Lin, X Lu, Y Tang - Applied Surface Science, 2014 - Elsevier
Abstracts Understanding the interaction mechanisms of hydrogen sulfide (H 2 S) with
graphene is important in develo** graphene-based sensors for gas detection and …

Density Functional Theory Study of Two-Dimensional SnS2 Do** for Detection of Hydrogen Sulfide

Z Li, S Guo, Y Wang, S Yang, J Hu… - ACS Applied Nano …, 2024 - ACS Publications
The efficient and rapid detection of toxic and combustible H2S released during industrial
processes is extremely crucial. However, two-dimensional (2D) SnS2 shows a weak …

H2S adsorption on graphene in the presence of sulfur: a density functional theory study

O Faye, A Raj, V Mittal, AC Beye - Computational Materials Science, 2016 - Elsevier
The high affinity of graphene for H 2 S makes it a potential adsorbent for separating H 2 S
from industrial waste gas streams, and for its use in H 2 S sensors. The gas streams …

H2S adsorption and decomposition on the gradually reduced α-Fe2O3 (001) surface: A DFT study

C Lin, W Qin, C Dong - Applied Surface Science, 2016 - Elsevier
Reduction of iron based desulfurizer occurs during hot gas desulfurization process, which
will affect the interaction between H 2 S and the desulfurizer surface. In this work, a detailed …

Surface interaction of H2O and H2S onto Ca12O12 nanocluster: Quantum‐chemical analyses

AS Rad, SM Aghaei, H Pazoki… - Surface and …, 2018 - Wiley Online Library
To find the selectivity of H2S, we explicate the adsorption properties of water (H2O) and
hydrogen sulfide (H2S) molecules on the external surfaces of free Ca12O12 nanocages …

Well-dispersed CuFe do** nanoparticles with mixed valence in carbon aerogel as effective adsorbent for H2S removal at low temperature

Z Li, T Liu, Y Sun, S Deng, Y Li, Y Tan, Z Ma… - Fuel Processing …, 2023 - Elsevier
In order to overcome the deficiencies of low adsorption capacity and poor tolerance to high
space velocities of commercial adsorbents for H 2 S removal, core-shell structured Cu …

The adsorption and dissociation of H2S on Cu (100) surface: A DTF study

S Chen, S Sun, B Lian, Y Ma, Y Yan, S Hu - Surface science, 2014 - Elsevier
Density functional theory was used to investigate the adsorption of H 2 S and H/HS, H/H/S
on Cu (100). The pathways and transition states of H 2 S dissociation were also studied …

Adsorption and decomposition of H2S on the Ni (1 1 1) and Ni (2 1 1) surfaces: A first-principles density functional study

M Zhang, Z Fu, Y Yu - Applied Surface Science, 2019 - Elsevier
The adsorption and dissociation of H 2 S on Ni (1 1 1) and Ni (2 1 1) were both studied using
first-principles density functional calculations (DFT-GGA) and periodic supercells. In this …