Rational design of better hydrogen evolution electrocatalysts for water splitting: a review

F Liu, C Shi, X Guo, Z He, L Pan, ZF Huang… - Advanced …, 2022 - Wiley Online Library
The excessive dependence on fossil fuels contributes to the majority of CO2 emissions,
influencing on the climate change. One promising alternative to fossil fuels is green …

Electrostatic gating and intercalation in 2D materials

Y Wu, D Li, CL Wu, HY Hwang, Y Cui - Nature Reviews Materials, 2023 - nature.com
The do** or the alteration of crystals with guest species to obtain desired properties has
long been a research frontier in materials science. However, the closely packed lattice …

Theoretical advances in understanding and designing the active sites for hydrogen evolution reaction

F Sun, Q Tang, D Jiang - ACS Catalysis, 2022 - ACS Publications
As a fundamental step of water splitting and a step** stone toward exploring other
multielectron transfer processes, the electrocatalytic hydrogen evolution reaction (HER) is …

Implicit solvation methods for catalysis at electrified interfaces

S Ringe, NG Hormann, H Oberhofer… - Chemical Reviews, 2021 - ACS Publications
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations
to account for a surrounding liquid electrolyte on the level of a continuous polarizable …

Boosting the performance of single-atom catalysts via external electric field polarization

Y Pan, X Wang, W Zhang, L Tang, Z Mu, C Liu… - Nature …, 2022 - nature.com
Single-atom catalysts represent a unique catalytic system with high atomic utilization and
tunable reaction pathway. Despite current successes in their optimization and tailoring …

Regulating HER and OER performances of 2D materials by the external physical fields

C Qin, S Chen, H Gomaa, MA Shenashen… - Acta Physico-Chimica …, 2024 - Elsevier
Hydrogen fuel has long been considered a promising and practical alternative to
conventional fossil fuels for sha** the future of our energy landscape. The electrocatalytic …

The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts

S Ringe - Nature Communications, 2023 - nature.com
It has been over twenty years since the linear scaling of reaction intermediate adsorption
energies started to coin the fields of heterogeneous and electrocatalysis as a blessing and a …

Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold

S Ringe, CG Morales-Guio, LD Chen, M Fields… - Nature …, 2020 - nature.com
Electrochemical CO 2 reduction is a potential route to the sustainable production of valuable
fuels and chemicals. Here, we perform CO 2 reduction experiments on Gold at neutral to …

Promoting electrocatalytic hydrogen evolution reaction and oxygen evolution reaction by fields: effects of electric field, magnetic field, strain, and light

J Yao, W Huang, W Fang, M Kuang, N Jia… - Small …, 2020 - Wiley Online Library
Hydrogen fuel is considered as one of the most clean renewable resources, warranting it a
primary alternative to fossil fuels for future energy supplies. Electrocatalytic water splitting is …

Active Electron Density Modulation of Co3O4‐Based Catalysts Enhances their Oxygen Evolution Performance

D He, X Song, W Li, C Tang, J Liu, Z Ke… - Angewandte Chemie …, 2020 - Wiley Online Library
Despite the fact that many strategies have been developed to improve the efficiency of the
oxygen evolution reaction (OER), the precise modulation of the surface electronic properties …