Machine learning for design principles for single atom catalysts towards electrochemical reactions

M Tamtaji, H Gao, MD Hossain, PR Galligan… - Journal of Materials …, 2022 - pubs.rsc.org
Machine learning (ML) integrated density functional theory (DFT) calculations have recently
been used to accelerate the design and discovery of heterogeneous catalysts such as single …

Recent advances in CO 2 capture and reduction

K Wei, H Guan, Q Luo, J He, S Sun - Nanoscale, 2022 - pubs.rsc.org
Given the continuous and excessive CO2 emission into the atmosphere from
anthropomorphic activities, there is now a growing demand for negative carbon emission …

Review and perspective on transition metal electrocatalysts toward carbon-neutral energy

D Johnson, E Pranada, R Yoo, E Uwadiunor… - Energy & …, 2023 - ACS Publications
Decarbonizing the chemical industry and achieving carbon-neutral energy is paramount to
the sustainability of the human species on earth. Electrocatalysis using transition metal …

Challenges and opportunities of transition metal oxides as electrocatalysts

W **ong, H Yin, T Wu, H Li - Chemistry–A European Journal, 2023 - Wiley Online Library
As a sustainable energy technology, electrocatalytic energy conversion and storage has
become increasingly prominent. The oxygen reduction reaction (ORR), oxygen evolution …

Progress of transition metal chalcogenides as efficient electrocatalysts for energy conversion

M Nath, H Singh, A Saxena - Current opinion in electrochemistry, 2022 - Elsevier
The continuous excessive usage of fossil fuels has resulted in its fast depletion, leading to
an escalating energy crisis as well as several environmental issues leading to increased …

Tailoring the interactions of heterostructured Ni4N/Ni3ZnC0. 7 for efficient CO2 electroreduction

J Wang, Z Li, Z Zhu, J Jiang, Y Li, J Chen, X Niu… - Journal of Energy …, 2022 - Elsevier
Electrocatalytic CO 2 reduction into CO has been regarded as one of the most promising
strategies for sustainable carbon cycles at ambient conditions, but still faces challenges to …

[HTML][HTML] A comprehensive review of electrochemical reduction of CO2 to methanol: Technical and design aspects

K Wiranarongkorn, K Eamsiri, YS Chen… - Journal of CO2 …, 2023 - Elsevier
The electrochemical reduction of CO 2 (ERC) is a promising CO 2 utilization technology that
can convert CO 2 into a wide variety of fuels and chemicals via electrochemical reactions …

Intermediates and Their Conversion into Highly Selective Multi-Carbons in Photo-/Electrocatalytic CO2 Reduction Reaction

L Yang, AU Pawar, RP Sivasankaran, D Lee… - Journal of Materials …, 2023 - pubs.rsc.org
There is tremendously increasing interest in the reductive conversion of CO2 into liquid fuel
and value-added oxygenated multi-carbons (C2+) to solve the environmental and energy …

Exploring two decades of graphene: The jack of all trades

S Santra, A Bose, K Mitra, A Adalder - Applied Materials Today, 2024 - Elsevier
In the last two decades, graphene and its derivative structures have proved effective in
various applications, having a significant impact on society. In all kinds of research field …

Combined High-Throughput DFT and ML Screening of Transition Metal Nitrides for Electrochemical CO2 Reduction

AG Yohannes, C Lee, P Talebi, DH Mok… - ACS …, 2023 - ACS Publications
The electrochemical reduction of CO2 (CO2RR) using renewable electricity has the potential
to reduce atmospheric CO2 levels while producing valuable chemicals and fuels. However …