Emerging atomistic modeling methods for heterogeneous electrocatalysis
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …
enable a sustainable future. However, its complexity makes it challenging to accurately and …
Dynamics of resonant x-ray and Auger scattering
An overview of both experimental and theoretical results in the field of resonant scattering of
tunable soft and hard x-ray radiation is presented, with a main focus on the closely related …
tunable soft and hard x-ray radiation is presented, with a main focus on the closely related …
Electronic structure of the parent compound of superconducting infinite-layer nickelates
The search continues for nickel oxide-based materials with electronic properties similar to
cuprate high-temperature superconductors,,,,,,,,–. The recent discovery of superconductivity …
cuprate high-temperature superconductors,,,,,,,,–. The recent discovery of superconductivity …
Theory-driven design of high-valence metal sites for water oxidation confirmed using in situ soft X-ray absorption
The efficiency with which renewable fuels and feedstocks are synthesized from electrical
sources is limited at present by the sluggish oxygen evolution reaction (OER) in pH-neutral …
sources is limited at present by the sluggish oxygen evolution reaction (OER) in pH-neutral …
Entropy engineering and tunable magnetic order in the spinel high-entropy oxide
GHJ Johnstone, MU González-Rivas… - Journal of the …, 2022 - ACS Publications
Spinel oxides are an ideal setting to explore the interplay between configurational entropy,
site selectivity, and magnetism in high-entropy oxides (HEOs). In this work, we characterize …
site selectivity, and magnetism in high-entropy oxides (HEOs). In this work, we characterize …
Nature of excitons and their ligand-mediated delocalization in nickel dihalide charge-transfer insulators
The fundamental optical excitations of correlated transition-metal compounds are typically
identified with multielectronic transitions localized at the transition-metal site, such as dd …
identified with multielectronic transitions localized at the transition-metal site, such as dd …
X-Ray Magnetic Circular Dichroism in Altermagnetic -MnTe
Altermagnetism is a recently identified magnetic symmetry class combining characteristics of
conventional collinear ferromagnets and antiferromagnets, that were regarded as mutually …
conventional collinear ferromagnets and antiferromagnets, that were regarded as mutually …
Efficient implementation of core-excitation Bethe–Salpeter equation calculations
We present an efficient implementation of the Bethe–Salpeter equation (BSE) method for
obtaining core-level spectra including X-ray absorption (XAS), X-ray emission (XES), and …
obtaining core-level spectra including X-ray absorption (XAS), X-ray emission (XES), and …
Bimetallic metal-organic framework derived 3D hierarchical NiO/Co3O4/C hollow microspheres on biodegradable garbage bag for sensitive, selective, and flexible …
The hierarchical hollow architectured NiO/Co 3 O 4/C is developed using the sacrificial
template of Ni-Co MOF and the proximity of Ni (II)/Co (II) ions with organic ligand in Ni-Co …
template of Ni-Co MOF and the proximity of Ni (II)/Co (II) ions with organic ligand in Ni-Co …
Extreme mobility enhancement of two-dimensional electron gases at oxide interfaces by charge-transfer-induced modulation do**
Two-dimensional electron gases (2DEGs) formed at the interface of insulating complex
oxides promise the development of all-oxide electronic devices. These 2DEGs involve many …
oxides promise the development of all-oxide electronic devices. These 2DEGs involve many …