Surface and interface coordination chemistry learned from model heterogeneous metal nanocatalysts: from atomically dispersed catalysts to atomically precise …

W Jing, H Shen, R Qin, Q Wu, K Liu, N Zheng - Chemical Reviews, 2022 - ACS Publications
The surface and interface coordination structures of heterogeneous metal catalysts are
crucial to their catalytic performance. However, the complicated surface and interface …

Catalytic applications of phosphorene: Computational design and experimental performance assessment

M Nehra, N Dilbaghi, R Kumar… - Critical Reviews in …, 2024 - Taylor & Francis
In the current era, catalysts have gained intensive research interest in development of
sustainable energy as well as environmental remediation. Recent exploration of novel two …

CO oxidation on MXene (Mo2CS2) supported single-atom catalyst: A termolecular Eley-Rideal mechanism

SH Talib, Z Lu, B Bashir, S Hussain, K Ahmad… - Chinese Chemical …, 2023 - Elsevier
Finding transition metal catalysts for effective catalytic conversion of CO to CO 2 has
attracted much attention. MXene as a new 2D layered material of early transition metal …

Mo2CS2-MXene supported single-atom catalysts for efficient and selective CO2 electrochemical reduction

S Baskaran, J Jung - Applied Surface Science, 2022 - Elsevier
Single-atom catalysts (SACs) recently attracted considerable attention in heterogeneous
catalysis, owing to high atom-utilization and unique properties. In this paper, we investigated …

Ultrastable nickel single-atom catalysts with high activity and selectivity for electrocatalytic CO2 methanation

LC Tian, JN Hu, Y Meng, JX Liang, C Zhu, J Li - Nano Research, 2023 - Springer
Electrochemical conversion of CO2 into valuable hydrocarbon fuel is one of the key steps in
solving carbon emission and energy issue. Herein, we report a non-noble metal catalyst …

Theoretical screening of single-atom electrocatalysts of MXene-supported 3d-metals for efficient nitrogen reduction

JN Hu, LC Tian, H Wang, Y Meng, JX Liang… - Chinese Journal of …, 2023 - Elsevier
Single-atom catalysts (SACs) with metal atoms embedded in MXenes are potentially low-
cost, highly efficient, and environment-friendly electrocatalysts for ammonia production due …

Termolecular Eley–Rideal pathway for efficient CO oxidation on phosphorene‐supported single‐atom cobalt catalyst

S Baskaran, J Jung - Bulletin of the Korean Chemical Society, 2022 - Wiley Online Library
Density functional theory calculations are conducted to examine the oxidation of CO on a
single Co atom anchored on a two‐dimensional phosphorene monolayer (Co@ Pn). The …

Computational Study of Single Metal Atom Anchored on Black Phosphorus for Methane Oxidation to Methanol by Nitrous Oxide

W Jiang, H Wang, Y Su - Chemistry–A European Journal, 2023 - Wiley Online Library
Direct conversion of methane to high‐value‐added transportable methanol is a great
challenge, which requires high energy input to break the strong C− H bond. Developing …

Pd speciation on black phosphorene in a CO and C 2 H 4 atmosphere: a first-principles investigation

X Liu, L Chen, Y Wu, X Zhang, G Chambaud… - Physical Chemistry …, 2022 - pubs.rsc.org
Deposited transition metal clusters and nanoparticles are widely used as catalysts and have
long been thought stable in reaction conditions. We investigated the electronic structure and …

Computational Screening of Pt1@Ti3C2T2 (T = O, S) MXene Catalysts for Water–Gas Shift Reaction

Y Meng, H Wang, JX Liang, C Zhu, J Li - Precision Chemistry, 2024 - ACS Publications
Single-atom catalysts (SACs) provide an opportunity to elucidate the catalytic mechanism of
complex reactions in heterogeneous catalysis. The low-temperature water–gas shift (WGS) …