Fe (II) redox chemistry in the environment

J Huang, A Jones, TD Waite, Y Chen, X Huang… - Chemical …, 2021 - ACS Publications
Iron (Fe) is the fourth most abundant element in the earth's crust and plays important roles in
both biological and chemical processes. The redox reactivity of various Fe (II) forms has …

Density functional theory for electrocatalysis

X Liao, R Lu, L Xia, 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 …

Role of Defects in the Interplay between Adsorbate Evolving and Lattice Oxygen Mechanisms of the Oxygen Evolution Reaction in RuO2 and IrO2

A Zagalskaya, V Alexandrov - ACS Catalysis, 2020 - ACS Publications
The mechanistic interplay between the oxygen evolution reaction (OER) and material
degradation during water electrolysis is not yet well understood even for the most studied …

Highly efficient overall urea electrolysis via single-atomically active centers on layered double hydroxide

H Sun, L Li, HC Chen, D Duan, M Humayun, Y Qiu… - Science Bulletin, 2022 - Elsevier
Anodic urea oxidation reaction (UOR) is an intriguing half reaction that can replace oxygen
evolution reaction (OER) and work together with hydrogen evolution reaction (HER) toward …

Universal principles for the rational design of single atom electrocatalysts? handle with care

G Di Liberto, LA Cipriano, G Pacchioni - ACS Catalysis, 2022 - ACS Publications
One of the objectives of electronic structure theory is to predict chemical and catalytic
activities. This is a challenging target due to the large number of variables that determine the …

Stacking tunable interlayer magnetism in bilayer

P Jiang, C Wang, D Chen, Z Zhong, Z Yuan, ZY Lu… - Physical Review B, 2019 - APS
Diverse interlayer tunability of physical properties of two-dimensional layers mostly lies in
the covalent-like quasibonding that is significant in electronic structures but rather weak for …

Palladium diselenide long-wavelength infrared photodetector with high sensitivity and stability

M Long, Y Wang, P Wang, X Zhou, H Xia, C Luo… - Acs Nano, 2019 - ACS Publications
A long-wavelength infrared photodetector based on two-dimensional materials working at
room temperature would have wide applications in many aspects in remote sensing, thermal …

Toward intrinsic room-temperature ferromagnetism in two-dimensional semiconductors

C Huang, J Feng, F Wu, D Ahmed… - Journal of the …, 2018 - ACS Publications
Two-dimensional (2D) ferromagnetic semiconductors have been recognized as the
cornerstone for next-generation electric devices, but the development is highly limited by the …

Tuning electrochemically driven surface transformation in atomically flat LaNiO3 thin films for enhanced water electrolysis

C Baeumer, J Li, Q Lu, AYL Liang, L Jin, HP Martins… - Nature materials, 2021 - nature.com
Abstract Structure–activity relationships built on descriptors of bulk and bulk-terminated
surfaces are the basis for the rational design of electrocatalysts. However, electrochemically …

Superoxo and peroxo complexes on single-atom catalysts: Impact on the oxygen evolution reaction

LA Cipriano, G Di Liberto, G Pacchioni - ACS Catalysis, 2022 - ACS Publications
In this work, we demonstrate the essential role of the formation of superoxo and peroxo
complexes on single-atom catalysts (SACs), an aspect that is often neglected in the study of …