Effectiveness and mechanism of carbamide/fly ash cenosphere with bilayer spherical shell structure as explosion suppressant of coal dust

X Wang, Y Zhang, B Liu, P Liang, Y Zhang - Journal of hazardous materials, 2019 - Elsevier
This study aims to eliminate or suppress explosion accidents in powder preparation and
storage systems of coal dust. The modified fly ash cenosphere (FAC) was used as an inner …

Template‐guided regioselective encaging of platinum single atoms into Y zeolite: Enhanced selectivity in semihydrogenation and resistance to poisoning

Q Chen, P Peng, G Yang, Y Li, M Han… - Angewandte Chemie …, 2022 - Wiley Online Library
It is challenging to establish single metal atoms with a uniform coordination environment at
targeted sites of a zeolite. In this study, single platinum atoms were selectively encaged in …

DFT insights into the adsorption mechanism of five-membered aromatic heterocycles containing N, O, or S on Fe (1 1 0) surface

TLM Pham, TK Phung, HV Thang - Applied Surface Science, 2022 - Elsevier
Understanding the interaction of five-membered aromatic heterocycles with Fe (1 1 0)
surface is crucial to the design of novel inhibitors against the corrosion of iron and steel …

On‐Surface Synthesis of Unsaturated Hydrocarbon Chains through C− S Activation

L Giovanelli, R Pawlak, F Hussein… - … A European Journal, 2022 - Wiley Online Library
We use an on‐surface synthesis approach to drive the homocoupling reaction of a simple
dithiophenyl‐functionalized precursor on Cu (111). The C− S activation reaction is initiated …

Enhanced HER activity of transition metal cluster decorated ReS2 monolayer

MP Aparna, R Chatanathodi - International Journal of Hydrogen Energy, 2024 - Elsevier
Two-dimensional material rhenium disulfide (ReS 2) has attracted much attention recently
as a potential electrochemical catalyst for the Hydrogen Evolution Reaction (HER). The ReS …

Predicting adsorption energies and the physical properties of H, N, and O adsorbed on transition metal surfaces: A machine learning study

W Malone, A Kara - Surface Science, 2023 - Elsevier
We present a machine learning study utilizing the Hierarchically Interacting Particle Neural
Network to predict the adsorption properties of atomic H, N, and O on various single metal …

Coverage-dependent adsorption of small gas molecules on black phosphorene: a DFT study

A Sibari, Z Kerrami, M Benaissa, A Kara - Surface Science, 2021 - Elsevier
Abstract Using Density Functional Theory (DFT), we perform a detailed computational study
to explore the adsorption behaviors of NH 3, NO, NO 2, CO and CO 2 gas molecules on a …

Phosphorus pentamers: floating nanoflowers form a 2D network

W Zhang, H Enriquez, Y Tong, AJ Mayne… - Advanced Functional …, 2020 - Wiley Online Library
An experimental investigation of a new polymorphic 2D single layer of phosphorus on Ag
(111) is presented. The atomically‐resolved scanning tunneling microscopy images show a …

Selective acrolein hydrogenation over ligand-protected gold clusters: a Venus flytrap mechanism

N Mammen, S Malola, K Honkala, H Häkkinen - ACS Catalysis, 2022 - ACS Publications
The catalytic partial hydrogenation of α, β-unsaturated aldehydes is an ideal reaction to
understand the selectivity between two different functional groups Here the two functional …

Fe-Phthalocyanine on Cu (111) and Ag (111): a DFT+ vdWs investigation

M Jabrane, M El Hafidi, MY El Hafidi, A Kara - Surface Science, 2022 - Elsevier
Starting from dyes in the industrial domain, Metal-Phthalocyanine (MPc), a macrocyclic
planar organo-metallic molecule, can nowadays be used in various applications at low cost …