Density functional theory for electrocatalysis

X Liao, R Lu, L **a, Q Liu, H Wang… - Energy & …, 2022 - Wiley Online Library
It is a considerably promising strategy to produce fuels and high‐value chemicals through
an electrochemical conversion process in the green and sustainable energy systems …

Self-supported transition metal chalcogenides for oxygen evolution

T Zhang, J Sun, J Guan - Nano research, 2023 - Springer
Owing to stable spatial framework and large electrochemical interface, self-supported
transition metal chalcogenides have been actively explored in renewable energy fields …

3D Co3O4‐RuO2 Hollow Spheres with Abundant Interfaces as Advanced Trifunctional Electrocatalyst for Water‐Splitting and Flexible Zn–Air Battery

Y Gao, D Zheng, Q Li, W **ao, T Ma… - Advanced Functional …, 2022 - Wiley Online Library
Exploiting efficient and stable electrocatalysts with trifunctional catalytic activity toward
hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction …

Selenate promoted stability improvement of nickel selenide nanosheet array with an amorphous NiOOH layer for seawater oxidation

H Zhang, X He, K Dong, Y Yao, S Sun, M Zhang… - Materials Today …, 2023 - Elsevier
Seawater electrolysis offers significant potential for green hydrogen production, the
presence of harmful chlorine species, nevertheless, can cause severe anode corrosion …

Stimulate the hidden catalysis potential and exposure of nickel site in NiSe@ CNTs result in ultra-high HER/OER activity and stability

H Xue, T Yang, Z Zhang, Y Zhang, Z Geng… - Applied Catalysis B …, 2023 - Elsevier
We present an electrodeposition strategy to construct heterostructures nickel selenide
(NiSe) and carbon nanotubes (CNTs), namely NiSe@ CNTs, to tune the electronic structure …

Interfacial electronic modulation on heterostructured NiSe@ CoFe LDH nanoarrays for enhancing oxygen evolution reaction and water splitting by facilitating the …

F Nie, Z Li, X Dai, X Yin, Y Gan, Z Yang, B Wu… - Chemical Engineering …, 2022 - Elsevier
Achieving low-cost and high-efficiency oxygen evolution reaction (OER) catalysts by
interfacial engineering has attracted numerous attentions. Herein, the combination of …

Interface effect of Fe doped NiSe/Ni3Se2 heterojunction as highly efficient electrocatalysts for overall water splitting

R Deng, H Yao, Y Wang, C Wang, S Zhang… - Chemical Engineering …, 2024 - Elsevier
It matters to design and explore transition metal bifunctional electrocatalysts which can
efficiently catalyze overall water splitting. Herein, we report a series of Fe doped NiSe/Ni 3 …

Pre‐Intercalation of Zn Ions to Enlarge and Stabilize Hierarchical Structure of ZnxMn1‐xSe Cathode for Flexible Zn‐Ion Capacitor

C Fang, B Xu, J Han, X Liu, Y Gao… - Advanced Functional …, 2024 - Wiley Online Library
Zn‐ion capacitors (ZICs) assembled from cathodes with diffusion‐controlled behaviors and
capacitive anodes have attracted increasing interest thanks to their satisfactory and …

Electronic structure regulation and polysulfide bonding of Co-doped (Ni, Fe) 1+ xS enable highly efficient and stable electrocatalytic overall water splitting

Y Huang, LW Jiang, H Liu, JJ Wang - Chemical Engineering Journal, 2022 - Elsevier
The durability of electrocatalysts is comparably as important as the efficiency for practical
applications. Transition metal sulfides usually undergo phase evolution during the oxygen …

Role of cobalt phthalocyanine on the formation of high-valent cobalt species revealed by in situ Raman spectroscopy

J Jia, X Zhao, W Hu, Y Wang, J Huang… - Journal of Materials …, 2023 - pubs.rsc.org
Owing to the enhanced kinetics for the formation of the O–O bond, the high-valent cobalt
species have been identified as the highly-efficient active center for oxygen evolution …