Water electrolysis
Electrochemistry has the potential to sustainably transform molecules with electrons
supplied by renewable electricity. It is one of many solutions towards a more circular …
supplied by renewable electricity. It is one of many solutions towards a more circular …
Recent advances in oxidation stable chemistry of 2D MXenes
As an emerging star of 2D nanomaterials, 2D transition metal carbides and nitrides, named
MXenes, present a large potential in various research areas owing to their intrinsic …
MXenes, present a large potential in various research areas owing to their intrinsic …
Tailored electronic structure of Ir in high entropy alloy for highly active and durable bifunctional electrocatalyst for water splitting under an acidic environment
Proton‐exchange‐membrane water electrolysis (PEMWE) requires an efficient and durable
bifunctional electrocatalyst for the hydrogen evolution reaction (HER) and oxygen evolution …
bifunctional electrocatalyst for the hydrogen evolution reaction (HER) and oxygen evolution …
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
T Lu - The Journal of Chemical Physics, 2024 - pubs.aip.org
Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …
and is indispensable for the practical research of many chemical problems. After more than …
Copper/alkaline earth metal oxide interfaces for electrochemical CO2-to-alcohol conversion by selective hydrogenation
Multicarbon alcohols produced by electrochemical CO2 reduction (CO2RR) are attractive
alternatives to fossil fuels; however, the selectivity towards alcohols in CO2RR remains low …
alternatives to fossil fuels; however, the selectivity towards alcohols in CO2RR remains low …
Fully exposed palladium cluster catalysts enable hydrogen production from nitrogen heterocycles
The size of supported metal species is known to have a profound influence on their catalytic
activity. However, this structure sensitivity remains ambiguous for metals at the atomic scale …
activity. However, this structure sensitivity remains ambiguous for metals at the atomic scale …
Toxic gas molecules adsorbed on intrinsic and defective WS2: gas sensing and detection
Z Cui, K Yang, Y Shen, Z Yuan, Y Dong, P Yuan… - Applied Surface …, 2023 - Elsevier
The magnetic and electronic behaviors of four toxic gas molecules (CO, NH 3, NO, and NO
2) adsorbed on intrinsic and defective (VW/WS 2 or VS/WS 2) WS 2 are systematically …
2) adsorbed on intrinsic and defective (VW/WS 2 or VS/WS 2) WS 2 are systematically …
Atomically Dispersed Co2–N6 and Fe–N4 Costructures Boost Oxygen Reduction Reaction in Both Alkaline and Acidic Media
Polynary transition‐metal atom catalysts are promising to supersede platinum (Pt)‐based
catalysts for oxygen reduction reaction (ORR). Regulating the local configuration of atomic …
catalysts for oxygen reduction reaction (ORR). Regulating the local configuration of atomic …
Synergy of dual-atom catalysts deviated from the scaling relationship for oxygen evolution reaction
C Fang, J Zhou, L Zhang, W Wan, Y Ding… - Nature …, 2023 - nature.com
Dual-atom catalysts, particularly those with heteronuclear active sites, have the potential to
outperform the well-established single-atom catalysts for oxygen evolution reaction, but the …
outperform the well-established single-atom catalysts for oxygen evolution reaction, but the …
Density functional theory calculations for insight into the heterocatalyst reactivity and mechanism in persulfate-based advanced oxidation reactions
Advanced oxidation processes (AOPs) based on persulfates such as peroxymonosulfate
and peroxydisulfate via heterogeneous catalysts have been a research hotspot due to their …
and peroxydisulfate via heterogeneous catalysts have been a research hotspot due to their …