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 …

Single atom catalysts for selective methane oxidation to oxygenates

P Kumar, TA Al-Attas, J Hu, MG Kibria - ACS nano, 2022 - ACS Publications
Direct conversion of methane (CH4) to C1–2 liquid oxygenates is a captivating approach to
lock carbons in transportable value-added chemicals, while reducing global warming …

Mechanistic insights into electrochemical nitrogen reduction reaction on vanadium nitride nanoparticles

X Yang, J Nash, J Anibal, M Dunwell… - Journal of the …, 2018 - ACS Publications
Renewable production of ammonia, a building block for most fertilizers, via the
electrochemical nitrogen reduction reaction (ENRR) is desirable; however, a selective …

Modulating Ti t2g Orbital Occupancy in a Cu/TiO2 Composite for Selective Photocatalytic CO2 Reduction to CO

K Zhu, Q Zhu, M Jiang, Y Zhang, Z Shao… - Angewandte Chemie …, 2022 - Wiley Online Library
The electronic structure of composites plays a critical role in photocatalytic conversion,
whereas it is challenging to modulate the orbital for an efficient catalyst. Herein, we …

Understanding X-ray absorption spectra by means of descriptors and machine learning algorithms

AA Guda, SA Guda, A Martini, AN Kravtsova… - npj Computational …, 2021 - nature.com
X-ray absorption near-edge structure (XANES) spectra are the fingerprint of the local atomic
and electronic structures around the absorbing atom. However, the quantitative analysis of …

Biaxial strain induced OH engineer for accelerating alkaline hydrogen evolution

T Zhang, Q Ye, Z Han, Q Liu, Y Liu, D Wu… - Nature …, 2024 - nature.com
The sluggish kinetics of Volmer step in the alkaline hydrogen evolution results in large
energy consumption. The challenge that has yet well resolved is to control the water …

The dynamics of overlayer formation on catalyst nanoparticles and strong metal-support interaction

A Beck, X Huang, L Artiglia, M Zabilskiy, X Wang… - Nature …, 2020 - nature.com
Heterogeneous catalysts play a pivotal role in the chemical industry. The strong metal-
support interaction (SMSI), which affects the catalytic activity, is a phenomenon researched …

Quantum-chemical characterization of the properties and reactivities of metal–organic frameworks

SO Odoh, CJ Cramer, DG Truhlar, L Gagliardi - Chemical reviews, 2015 - ACS Publications
The present review is concerned with quantum mechanical electronic structure calculations
on metal− organic frameworks (MOFs) to elucidate their properties and functionalities. There …

In situ X-ray absorption spectroscopy of transition metal based water oxidation catalysts

CHM van Oversteeg, HQ Doan… - Chemical Society …, 2017 - pubs.rsc.org
X-ray absorption studies of the geometric and electronic structure of primarily
heterogeneous Co, Ni, and Mn based water oxidation catalysts are reviewed. The X-ray …

Determining Structure‐Activity Relationships in Oxide Derived CuSn Catalysts During CO2 Electroreduction Using X‐Ray Spectroscopy

LC Pardo Pérez, A Arndt, S Stojkovikj… - Advanced Energy …, 2022 - Wiley Online Library
The development of earth‐abundant catalysts for selective electrochemical CO2 conversion
is a central challenge. Cu Sn bimetallic catalysts can yield selective CO2 reduction toward …