Journal article
Mechanistic Insight and Local Structure Evolution of NiPS3 upon Electrochemical Lithiation
ACS applied materials & interfaces, v 14(3), pp 3980-3990
26 Jan 2022
PMID: 35014781
Abstract
Transition metal phosphorus trisulfide materials have received considerable research interest since the 1980-1990s as they exhibit promising energy conversion and storage properties. However, the mechanistic insights into Li-ion storage in these materials are poorly understood to date. Here, we explore the lithiation of NiPS3 material by employing in situ pair-distribution function analysis, Monte Carlo molecular dynamics calculations, and a series of ex situ characterizations. Our findings elucidate complex ion insertion and storage dynamics around a layered polyanionic compound, which undergoes intercalation and conversion reactions in a sequential manner. This study of NiPS3 material exemplifies the Li-ion storage mechanism in transition metal phosphorus sulfide materials and provides insights into the challenges associated with achieving reliable, high-energy phosphorus trisulfide systems.
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Details
- Title
- Mechanistic Insight and Local Structure Evolution of NiPS3 upon Electrochemical Lithiation
- Creators
- Christopher Choi - University of California, Los AngelesDavid Ashby - Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USAYou Rao - The Ohio State UniversityElaf Anber - Johns Hopkins UniversityJames L. Hart - Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USADanielle Butts - University of California, Los AngelesCatrina Wilson - The Ohio State UniversityEmily Levin - University of California, Santa BarbaraMitra Taheri - Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USAMaryam Ghazisaeidi - The Ohio State UniversityBruce Dunn - Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USAVicky Doan-Nguyen - The Ohio State University
- Publication Details
- ACS applied materials & interfaces, v 14(3), pp 3980-3990
- Publisher
- Amer Chemical Soc
- Number of pages
- 11
- Grant note
- Ohio State University Materials Research Program N00014-20-1-2368 / Office of Naval Research Multidisciplinary University Research Initiative (MURI) program DMR-2011876 / Center for Emergent Materials, an NSF MRSEC; National Science Foundation (NSF) Oak Ridge Associated Universities Ralph E. Powe Junior Faculty Enhancement Award DE-SC0020314 / US Department of Energy, Office of Basic Energy Sciences; United States Department of Energy (DOE) N00014-19-1-2113 / Office of Naval Research National Science Foundation Graduate Research Fellowship Program; National Science Foundation (NSF) Ohio State University
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000768669200033
- Scopus ID
- 2-s2.0-85123352221
- Other Identifier
- 991021861180204721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology