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Directly synthesized cobalt oxyhydroxide as an oxygen evolution catalyst in p...
<p><span>The limited choice of oxygen evolution reaction catalysts for proton exchange membrane water electrolyzers hinders their large-scale commercialization.... -
Ab initio real-time quantum dynamics of charge carriers in momentum space
Application of the nonadiabatic molecular dynamics (NAMD) approach is severely limited to studying carrier dynamics in the momentum space, since a supercell is required to... -
Computational Design of Transition Metal Catalysts for Hydrodefluorination of...
The C-F activation is one of the important processes in chemical synthesis. Here, we studied the hydrodefluorination of PhCF3 with SiMe2Ph-H catalyzed by Ni(0) complexes. The... -
Dataset of Charpy V-notch impact test records of nuclear structural materials
The dataset contains records of Charpy V-notch impact tests of nuclear structural materials. The focus is on studying the influence of specimen dimensions and geometry on Charpy... -
Organic solar cells with eco-friendly preparation to achieve an efficiency of...
Thin film organic photovoltaics (OPVs) aspire to extract solar energy in a green, high efficiency, and cost-effective pathway, offering a sustainable solution to energy and... -
Dataset of tensile properties for sub-sized specimens of nuclear structural m...
The dataset provides records of tensile properties of nuclear structural materials. The focus is on studying the influence of specimen dimensions and geometry on mechanical... -
Dataset of tensile properties for sub-sized specimens of nuclear structural m...
The dataset provides records of tensile properties of nuclear structural materials. The focus is on studying the influence of specimen dimensions and geometry on mechanical... -
Dataset of tensile properties for sub-sized specimens of nuclear structural m...
The dataset provides records of tensile properties of nuclear structural materials. The focus is on studying the influence of specimen dimensions and geometry on mechanical... -
Oxygen vacancy induced defect dipoles in BiVO4 for photoelectrocatalytic part...
A strong driving force for charge separation and transfer in semiconductors is essential for designing effective photoelectrodes for solar energy conversion. While defect... -
Achieving 19% efficiency in nonfused ring electron acceptor solar cells via s...
Nonfused ring electron acceptors (NFREAs) are interesting n-type near infrared (NIR) photoactive semiconductors with strong molecular absorption and easy synthetic route.... -
Achieving 19% efficiency in nonfused ring electron acceptor solar cells via s...
Nonfused ring electron acceptors (NFREAs) are interesting n-type near infrared (NIR) photoactive semiconductors with strong molecular absorption and easy synthetic route.... -
Double helix PBDT polymer - Submitted manuscript, simulations and other sourc...
We describe a double helical conformation in the densely charged aromatic polyamide poly(2,2'- disulfonyl-4,4'-benzidine terephthalamide) or PBDT. This double helix... -
Operando tracking the interactions between CoO<sub>x</sub> and CeO₂ during ox...
CeO₂ greatly enhances the electrocatalytic oxygen evolution reaction (OER) activity of CoO<sub>x</sub>, though the enhancement mechanism beyond this synergy is yet... -
Oxidation of interfacial cobalt controls the pH-dependence of the oxygen evol...
Transition metal oxides (e.g., cobalt oxides) often undergo a dynamic surface reconstruction under oxygen evolution reaction (OER) conditions to form the active state, which... -
Uncovering the catalyst/electrolyte interfacial process by frequency dispersi...
Electrochemical impedance spectroscopy (EIS) is the widely used technique to monitor the electrical properties of a catalyst under electrocatalytic conditions. Although it is... -
Spectroscopic investigations of complex electronic interactions by elemental ...
Doping and compositing are two universal design strategies used to engineer the electronic state of a material and mitigate its disadvantages. These two strategies have been... -
In situ inorganic conductive network enables superior high-voltage operation ...
High nickel content in LiNixCoyMnzO2 (NCM, x ≥ 0.8, x + y + z = 1) layered cathode material allows high energy density in lithium-ion batteries (LIBs). However, Ni-rich NCM... -
Unveiling the pH-dependent structure-activity relationship of Co-based cataly...
Co-based catalysts are promising candidates to replace the Ir/Ru-based oxides for the oxygen evolution reaction (OER) in an acidic environment. However, both the reaction... -
Theory-guided design of high-strength, high-melting point, ductile, low-densi...
The search for new high-temperature alloys that can enable higher-efficiency/lower-emissions power generation has accelerated with the discovery of body-centered cubic (bcc)... -
High-quality data enabling universality of band-gap descriptor and discovery ...
Extensive machine-learning assisted research has been dedicated to predicting band gaps for perovskites, driven by their immense potential in photovoltaics. Yet, the...
