Ion Conductivities: Protons Enhance Conductivities in Lithium Halide Hydroxide/Lithium Oxyhalide Solid Electrolytes by Forming Rotating Hydroxy Groups (Adv. Energy Mater. 3/2018). Issue 3 (26th January 2018)

• Record Type: Journal Article
• Authors: Song, Ah‐Young; Xiao, Yiran; Turcheniuk, Kostiantyn; Upadhya, Punith; Ramanujapuram, Anirudh; Benson, Jim; Magasinski, Alexandre; Olguin, Marco; Meda, Lamartine; Borodin, Oleg; Yushin, Gleb
• Is Part Of: Advanced energy materials. Volume 8:Issue 3(2018)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2018-01-26
• Subjects: antiperovskite -- Li‐ion conductivity -- molecular dynamics simulations -- solid state electrolyte -- X‐ray diffraction; Energy harvesting -- Materials -- Periodicals; Energy conversion -- Materials -- Periodicals; Energy storage -- Materials -- Periodicals; Photovoltaics -- Periodicals; Fuel cells -- Periodicals; Thermoelectric materials -- Periodicals; 621.31
• DOI: 10.1002/aenm.201870014
• Languages: English
• ISSNs: 1614-6832

Abstract

Abstract : In article number1700971, Oleg Borodin, Gleb Yushin, and co‐workers prepare the lithium hydroxyl chloride and deprotonated lithium hydroxychlorides to reveal the influence of the proton of the hydroxyl group on the Li ion conductivities in these types of compounds. Born‐Oppenheimer molecular dynamics simulations show an excellent agreement with experimental results and reveal an unexpected mechanism, which involves the rotation of the hydroxyl group. Rotating doors in buildings may serve as simple mechanical analogies for Li + motion.