[HTML][HTML] Recent advances in the development of single atom catalysts for oxygen evolution reaction

S Li, Z **n, Y Luo, J Pan, G Liao, Q Li, Y Sun… - International Journal of …, 2024 - Elsevier
Recent advances in single atom catalysts (SACs) have demonstrated significant potential for
enhancing catalytic performance in various chemical reactions due to their unique …

DFT and machine learning studies on a multi-functional single-atom catalyst for enhanced oxygen and hydrogen evolution as well as CO2 reduction reactions

M Tamtaji, M Kazemeini, J Abdi - International Journal of Hydrogen Energy, 2024 - Elsevier
In this contribution, the design of a graphene-supported high-entropy single-atom catalyst
(HESAC) composed of Fe, Co, Ni, and Ru metal atoms (FeCoNiRu-HESAC) is proposed …

Elucidating the hydrogen adsorption mechanism in bare and TMs (Ni, Pd and Cd) decorated Al12P12, B12P12 and C24 nanocages for hydrogen storage via DFT …

D Subramani, D Arumugam, A Muralidharan… - International Journal of …, 2024 - Elsevier
This density functional theory investigation aims to assess the hydrogen adsorption potential
of bare and metal catalysts (Ni, Pd, and Cd) decorated Al 12 P 12, B 12 P 12, and C 24 …

Transition metal-modified 1-Azahomocubane dimers: Designed catalysts for enhanced hydrogen and oxygen evolution reactions via first-principles calculations

S Biju, A Allangawi, R Balachandran, K Ayub… - International Journal of …, 2024 - Elsevier
To harness the full potential of electrochemical water splitting for hydrogen and oxygen
production, recent efforts have focused on the development of single atom catalysts (SACs) …

Utilizing the carbon nano-belt (8-CNB) loaded late second-row transition metal (TM) single-atom catalysts for hydrogen and oxygen evolution during water electrolysis

A Allangawi, S Biju, R Balachandran, K Ayub… - Materials Science in …, 2025 - Elsevier
Production of high purity of hydrogen and oxygen via water electrolysis is setback by the
high overpotential associated with water splitting. In this regard, herein the use of late …

Unrivaled single atom catalytic efficiency of Fe@ Mg12O12 toward N2 reduction reaction (NRR) for NH3 generation

A Allangawi, N Kosar, K Ayub, MA Gilani… - Physica …, 2024 - iopscience.iop.org
The quest for efficient and sustainable catalytic processes for ammonia synthesis has led to
the exploration of transition metal (TM) doped single-atom catalysts (SACs) due to their …

Organic electride C6O6Li6: A potential support for transition metal-doped single atom catalysis toward hydrogen evolution reaction (HER)

A Allangawi, M Salman, K Ayub, MA Gilani… - Physica B: Condensed …, 2025 - Elsevier
In pursuit of efficient hydrogen evolution reaction (HER) catalysts, the use of single-atom
catalysts (SACs) is crucial for the full realization of hydrogen energy. This study investigates …

Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

N Kosar, T Mahmood, A Allangawi, M Imran… - Inorganic Chemistry …, 2025 - Elsevier
Production of clean hydrogen fuel (H 2) has gained a significant importance nowadays
through hydrogen evolution reaction (HER). However, a crucial requirement of HER is a low …

Unparalleled single-atom catalytic efficiency of TM@ Al12P12 (TM= Fe, Co, Ni, Cu) nanoclusters toward oxygen evolution reaction (OER)

A Allangawi, N Kosar, K Ayub, MA Gilani… - Inorganic Chemistry …, 2024 - Elsevier
Global warming is an unparalleled challenge to the globe. The increased usage of fossil fuel
has significantly increased the CO 2 level in the environment. Thus, scientists have …