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Articles by Christopher Wolverton
Predicting interface structure using the minima hopping method with a machine learning interatomic potential
Abstract Predicting atomic-scale interfacial structures remains a central challenge in materials science due to their structural complexity and the difficulty of direct comparison between computational and experimental results. In this study, we present an effective approach for interface structure prediction that integrates the minima hopping method (MHM) with the state-of-the-art machine-learning interatomic potential (MLIP), Allegro.
Electronic Structure Progression across the ACu2Q2(MQ2)n Semiconductor Series
Journal of the American Chemical Society Cite this: J. Am. Chem. Soc. 2025, XXXX, XXX Click to copy citationCitation copied! Learn about these metrics Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days. Citations are the number of other articles citing this article, calculated by Crossref and updated daily.
A data-driven approach for the guided regulation of exposed facets in nanoparticles - Nature Synthesis
Abstract Nanomaterials with high-index facets have desirable properties but are often challenging to synthesize. One way to realize such structures is by incorporating guest metal or metalloid atoms that can stabilize high-index facets by influencing surface energies.
A Li-rich layered oxide cathode with negligible voltage decay - Nature Energy
Abstract With high capacity at low cost, Li- and Mn-rich (LMR) layered oxides are a promising class of cathodes for next-generation Li-ion batteries. However, substantial voltage decay during cycling, due to the unstable Li2MnO3 honeycomb structure, is still an obstacle to their practical deployment. Here we report a Co-free LMR Li-ion battery cathode with negligible voltage decay.
Valence Disproportionation of GeS in the PbS Matrix Forms Pb5Ge5S12 Inclusions with Conduction Band Alignment Leading to High n-Type Thermoelectric Performance
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Am. Chem. Soc. 2022, XXXX, XXX RETURN TO ARTICLES ASAPPREVArticleNEXT Zhong-Zhen Luo Zhong-Zhen Luo Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China, Fuzhou, Fujian 350108, P. R. China Key Laboratory of Eco-materials Advanced Technology, College of Materials Science and Engineering, Fuzhou University, Fuzhou 350108, P. R.
In Situ Mechanistic Studies of Two Divergent Synthesis Routes Forming the Heteroanionic BiOCuSe
Heteroanionic materials are a burgeoning class of compounds that offer new properties via the targeted selection of anions. However, understanding the design principles and achieving successful syntheses of new materials in this class are in their infancy.
Computational strategies for design and discovery of nanostructured thermoelectrics
Abstract The contribution of theoretical calculations and predictions in the development of advanced high-performance thermoelectrics has been increasingly significant and has successfully guided experiments to understand as well as achieve record-breaking results. In this review, recent developments in high-performance nanostructured bulk thermoelectric materials are discussed from the viewpoint of theoretical calculations.
Discovery of Calcium-Metal Alloy Anodes for Reversible Ca-Ion Batteries
Ca-ion batteries (CIBs) show promise to achieve the high energy density required by emerging applications like electric vehicles because of their potentially improved capacities and high operating voltages. The development of CIBs has been hindered by the failure of traditional graphite and calcium metal anodes due to the intercalation difficulty and lacking efficient electrolyte.
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