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Density functional theory studies of transition metal carbides and nitrides as electrocatalysts
Transition metal carbides and nitrides are interesting non-precious materials that have been
shown to replace or reduce the loading of precious metals for catalyzing several important …
shown to replace or reduce the loading of precious metals for catalyzing several important …
[HTML][HTML] A review on fundamentals for designing hydrogen evolution electrocatalyst
As a clean, efficient, and renewable energy source, hydrogen has always been recognized
as a favourable replacement of fossil fuel. A primary challenge is an efficient generation of …
as a favourable replacement of fossil fuel. A primary challenge is an efficient generation of …
Single-Atom Rhodium on Defective gC3N4: A Promising Bifunctional Oxygen Electrocatalyst
It is highly desirable to design bifunctional electrocatalysts to realize highly efficient oxygen
evolution/reduction reaction (OER/ORR). Herein, density functional theory (DFT) …
evolution/reduction reaction (OER/ORR). Herein, density functional theory (DFT) …
A review of hetero-structured Ni-based active catalysts for urea electrolysis
J Li, S Wang, S Sun, X Wu, B Zhang… - Journal of Materials …, 2022 - pubs.rsc.org
Urea electrooxidation has received considerable attention because of its tremendous
practical application in environmental protection and energy regeneration. The catalytic …
practical application in environmental protection and energy regeneration. The catalytic …
[HTML][HTML] Designing single-atom catalysts toward improved alkaline hydrogen evolution reaction
Electrochemical water splitting powered by renewables-generated electricity represents a
promising approach for green hydrogen production. However, the sluggish kinetics for the …
promising approach for green hydrogen production. However, the sluggish kinetics for the …
Enhancing electrochemical performance and corrosion resistance of nickel-based catalysts in seawater electrolysis: Focusing on OER and HER
Y **n, Q Hua, C Li, H Zhu, L Gao, X Ren… - Journal of Materials …, 2024 - pubs.rsc.org
Hydrogen production by electrochemical hydrogen evolution reaction (HER) using eco-
friendly seawater electrolysis can help address the energy shortage. However, insoluble …
friendly seawater electrolysis can help address the energy shortage. However, insoluble …
Highly active sites of NiVB nanoparticles dispersed onto graphene nanosheets towards efficient and pH-universal overall water splitting
Production of hydrogen (H 2) and oxygen (O 2) through electrocatalytic water splitting is one
of the sustainable, green and pivotal ways to accomplish the ever-increasing demands for …
of the sustainable, green and pivotal ways to accomplish the ever-increasing demands for …
Heteroatom Coordination Regulates Iron Single‐Atom‐Catalyst with Superior Oxygen Reduction Reaction Performance for Aqueous Zn‐Air Battery
Y He, Y Jia, B Yu, Y Wang, H Li, Y Liu, Q Tan - Small, 2023 - Wiley Online Library
Platinum group metal (PGM)‐free M‐N‐C catalysts have exhibited dramatic electrocatalytic
performance and are considered the most promising candidate of the Pt catalysts in oxygen …
performance and are considered the most promising candidate of the Pt catalysts in oxygen …
Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS4 by DFT and machine learning
As a zero-carbon fuel, hydrogen can be produced via electrochemical water splitting using
clean electric energy by the hydrogen evolution reaction (HER) process. The ultimate goal of …
clean electric energy by the hydrogen evolution reaction (HER) process. The ultimate goal of …
Accelerating the Discovery of gC3N4-Supported Single Atom Catalysts for Hydrogen Evolution Reaction: A Combined DFT and Machine Learning Strategy
Two-dimensional materials supported by single atom catalysis (SAC) is foreseen to replace
platinum for large-scale industrial scalability of sustainable hydrogen generation. Here, a …
platinum for large-scale industrial scalability of sustainable hydrogen generation. Here, a …