Oxygen K-edge X-ray absorption spectra

F Frati, MOJY Hunault, FMF De Groot - Chemical reviews, 2020 - ACS Publications
We review oxygen K-edge X-ray absorption spectra of both molecules and solids. We start
with an overview of the main experimental aspects of oxygen K-edge X-ray absorption …

Reactivity of surface species in heterogeneous catalysts probed by in situ X-ray absorption techniques

S Bordiga, E Groppo, G Agostini… - Chemical …, 2013 - ACS Publications
Starting from the late seventies, the progressively increased availability of synchrotron light
sources allowed the execution of experiments requiring a high X-ray flux in a continuous …

SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects

OT Unke, S Chmiela, M Gastegger, KT Schütt… - Nature …, 2021 - nature.com
Abstract Machine-learned force fields combine the accuracy of ab initio methods with the
efficiency of conventional force fields. However, current machine-learned force fields …

Resonant inelastic x-ray scattering studies of elementary excitations

LJP Ament, M Van Veenendaal, TP Devereaux… - Reviews of Modern …, 2011 - APS
In the past decade, resonant inelastic x-ray scattering (RIXS) has made remarkable progress
as a spectroscopic technique. This is a direct result of the availability of high-brilliance …

Amorphous–amorphous coupling enhancing the oxygen evolution reaction activity and stability of the NiFe-based catalyst

H Gao, W Sun, X Tian, J Liao, C Ma, Y Hu… - … Applied Materials & …, 2022 - ACS Publications
Efficient and stable electrocatalytic water splitting plays a critical role in energy storage and
conversion but is strongly restricted by the low activity and stability of catalysts associated …

Oxygen redox activity through a reductive coupling mechanism in the P3-type nickel-doped sodium manganese oxide

EJ Kim, LA Ma, LC Duda, DM Pickup… - ACS Applied Energy …, 2019 - ACS Publications
Increasing dependence on rechargeable batteries for energy storage calls for the
improvement of energy density of batteries. Toward this goal, introduction of positive …

Low-dimensional systems investigated by x-ray absorption spectroscopy: a selection of 2D, 1D and 0D cases

L Mino, G Agostini, E Borfecchia… - Journal of Physics D …, 2013 - iopscience.iop.org
Over the last three decades low-dimensional systems have attracted increasing interest both
from the fundamental and technological points of view due to their unique physical and …

computation of the electronic spectrum of NiO

X Ren, I Leonov, G Keller, M Kollar, I Nekrasov… - Physical Review B …, 2006 - APS
The electronic spectrum, energy gap and local magnetic moment of paramagnetic NiO are
computed using the local density approximation plus dynamical mean-field theory (LDA+ …

Determination of the electronic and structural configuration of coordination compounds by synchrotron-radiation techniques

C Garino, E Borfecchia, R Gobetto… - Coordination Chemistry …, 2014 - Elsevier
In this review we provide an overview of the potential of synchrotron radiation techniques to
understand the structural and electronic properties of coordination compounds. Besides the …

Fingerprint oxygen redox reactions in batteries through high-efficiency mapping of resonant inelastic X-ray scattering

J Wu, Q Li, S Sallis, Z Zhuo, WE Gent, WC Chueh… - Condensed …, 2019 - mdpi.com
Realizing reversible reduction-oxidation (redox) reactions of lattice oxygen in batteries is a
promising way to improve the energy and power density. However, conventional oxygen …