Superoxo and peroxo complexes on single-atom catalysts: Impact on the oxygen evolution reaction

LA Cipriano, G Di Liberto, G Pacchioni - ACS Catalysis, 2022 - ACS Publications
In this work, we demonstrate the essential role of the formation of superoxo and peroxo
complexes on single-atom catalysts (SACs), an aspect that is often neglected in the study of …

Transition metal and N doping on AlP monolayers for bifunctional oxygen electrocatalysts: density functional theory study assisted by machine learning description

X Liu, Y Zhang, W Wang, Y Chen, W Xiao… - … Applied Materials & …, 2021 - ACS Publications
It is vital to search for highly efficient bifunctional oxygen evolution/reduction reaction
(OER/ORR) electrocatalysts for sustainable and renewable clean energy. Herein, we …

Hexagonal boron nitride on metal surfaces as a support and template

L Óvári, AP Farkas, K Palotás, G Vári, I Szenti… - Surface Science …, 2024 - Elsevier
The synthesis and characterization of two dimensional materials are in the focus of
nanomaterial and surface science, heterogeneous catalytic and nanoelectronic research …

Two-dimensional Cu-doped G/h-BN/G heterostructures for highly sensitive gas detection: an ab initio study

A Shamsi - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Two-dimensional materials like graphene and h-BN have drawn significant interest for gas
sensing applications due to their high surface-to-volume ratio and exceptional physical …

Electrocatalytic performance of Mn-adsorbed gC 3 N 4: a first-principles study

L Guo, R Li, J Jiang, JJ Zou, W Mi - Journal of Materials Chemistry A, 2021 - pubs.rsc.org
Single-atom catalysts with magnetic elements as the active center have been widely
exploited as efficient oxygen evolution reaction (OER) electrocatalysts. Here, different …

Structure, assembly mechanism and magnetic properties of heterometallic dodecanuclear nanoclusters Dy III4 M II8 (M= Ni, Co)

S Yu, QH Zhang, Z Chen, HH Zou, H Hu… - Inorganic Chemistry …, 2021 - pubs.rsc.org
The formation of heterometallic clusters usually involves a much more complex self-
assembly process than that of homometallic clusters. Thus the tracking of their assembly …

Recent advances in single-atom catalysts for thermally driven reactions

H Liu, Y Li, X Djitcheu, L Liu - Chemical Engineering Science, 2022 - Elsevier
Single-atom catalysts (SACs) offer various advantages in catalysis, including maximized
atom-utilization efficiency, singly dispersed active sites with tailorable electronic states for …

Entrapping metal atom on hexagonal boron nitride monolayer for high performance single-atom-catalyst: Role of vacancy defects and metal support

J Datta, C Majumder - Applied Surface Science, 2023 - Elsevier
In recent time, the research on heterogeneous catalysis has witnessed a stunning progress
because of the promising future of single atom catalysis (SAC) with higher activity and …

The single metal atom (Ni, Pd, Pt) anchored on defective hexagonal boron nitride for oxidative desulfurization

N Lv, H Ran, J Zhang, J Yin, Y Zhang, H Li… - Physical Chemistry …, 2024 - pubs.rsc.org
Single-atom catalysts (SACs) have attracted great attention for various chemical reactions
because of their strong activity, high metal utilization ratio, and low cost. Here, by using the …

Adsorption behavior of diatomic gases with defected hexagonal boron nitride nanosheet: a DFT study

J Datta, C Majumder - Materials Today Communications, 2022 - Elsevier
In this study we have carried out the interaction of homo and hetero diatomic (H 2, Cl 2, N 2,
O 2, CO, NO) gases with pristine, B-vacancy (BV) and N-vacancy (NV) defected hexagonal …