Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts DOI Open Access
Imene Bayach, Sehrish Sarfaraz, Nadeem S. Sheikh

et al.

Materials, Journal Year: 2023, Volume and Issue: 16(7), P. 2792 - 2792

Published: March 31, 2023

Zigzag molecular nanobelts have recently captured the interest of scientists because their appealing aesthetic structures, intriguing chemical reactivities, and tantalizing features. In current study, first-row transition metals supported on an H

Language: Английский

Enhanced HER activity of transition metal cluster decorated ReS2 monolayer DOI

M. P. Aparna,

Raghu Chatanathodi

International Journal of Hydrogen Energy, Journal Year: 2023, Volume and Issue: 51, P. 41 - 51

Published: Aug. 19, 2023

Language: Английский

Citations

10
Interaction of N2, O2 and H2 Molecules with Superalkalis DOI Creative Commons
Harshita Srivastava, Ambrish Kumar Srivastava, Neeraj Misra

et al.

ChemistryOpen, Journal Year: 2024, Volume and Issue: 13(7)

Published: Jan. 9, 2024

Abstract Superalkalis (SAs) are exotic clusters having lower ionization energy than alkali atoms, which makes them strong reducing agents. In the quest for reduction of diatomic molecules (X 2 ) such as N , O and H using Møller‐Plesset perturbation theory (MP2), we have studied their interaction with typical superalkalis FLi OLi 3 NLi 4 calculated various parameters resulting SA−X complexes. We noticed that SA−O complex its isomers possess ionic interaction, leads to − anion. On contrary, there both covalent interactions in SA−N complexes lowest covalently bonded no charge transfer from SA. Further, between SA weakly bound complexes, results adsorption molecules. The nature is found be closely related electron affinity These findings might useful study activation, reduction, small molecules, can further explored possible applications.

Language: Английский

Citations

3
Aluminium phosphide (Al12P12) nanocage as a potential sensor for volatile organic compounds: A DFT study DOI Creative Commons
Mahmoud A. A. Ibrahim,

M. Hamad,

Nayra A. M. Moussa

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(20), P. 13915 - 13925

Published: Jan. 1, 2024

The potentiality of the aluminium phosphide (Al 12 P ) nanocage as a prospective sensor material towards methanol (MeOH) and ethanol (EtOH) molecules was investigated using density functional theory computations.

Language: Английский

Citations

3
Transition metal doped dioxaporphyrin scaffold as an efficient electrocatalyst for hydrogen evolution reaction DOI
Sidra Jabeen, Riaz Hussain, Muhammad Tariq

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 87, P. 1438 - 1452

Published: Sept. 16, 2024

Language: Английский

Citations

3
Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts DOI Open Access
Imene Bayach, Sehrish Sarfaraz, Nadeem S. Sheikh

et al.

Materials, Journal Year: 2023, Volume and Issue: 16(7), P. 2792 - 2792

Published: March 31, 2023

Zigzag molecular nanobelts have recently captured the interest of scientists because their appealing aesthetic structures, intriguing chemical reactivities, and tantalizing features. In current study, first-row transition metals supported on an H

Language: Английский

Citations

9