Phase transitions and potential ferroelectricity in noncentrosymmetric KNaNbOF5

Autor: Po-Hsiu Chien, Yan-Yan Hu, Jaye K. Harada, Kenneth R. Poeppelmeier, Haoyu Liu, Sawankumar Patel, Nenian Charles, Ching-Hwa A. Chen, James M. Rondinelli

Publikováno v: Physical Review Materials. 5

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9a2690fce91dfd264668687ea2c9449d
https://doi.org/10.1103/physrevmaterials.5.124401

Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity

Autor: Zhenxing Feng, Dongwook Lee, Sokseiha Muy, Dane Morgan, Dongkyu Lee, Yang Shao-Horn, Ryan Jacobs, Jonathan Hwang, Reshma R. Rao, Xiao Renshaw Wang, Kelsey A. Stoerzinger, Nenian Charles

Publikováno v: Materials Today. 31:100-118

Complex oxides, such as ABO3 perovskites, are an important class of functional materials that exhibit a wide range of physical, chemical, and electrochemical properties, including high oxygen electrocatalytic activity, tunable electronic/ionic conduc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a20c96b8df3b51d057eecb725bad5462
https://doi.org/10.1016/j.mattod.2019.03.014

Ligand-Dependent Energetics for Dehydrogenation: Implications in Li-Ion Battery Electrolyte Stability and Selective Oxidation Catalysis of Hydrogen-Containing Molecules

Autor: Filippo Maglia, Jan Rossmeisl, Isaac Lund, Sokseiha Muy, Livia Giordano, Yang Yu, Yirui Zhang, Yang Shao-Horn, Roland Jung, Soo Min Kim, Nenian Charles, Thomas M. Østergaard

Publikováno v: Giordano, L, Østergaard, T M, Muy, S, Yu, Y, Charles, N, Kim, S, Zhang, Y, Maglia, F, Jung, R, Lund, I, Rossmeisl, J & Shao-horn, Y 2019, ' Ligand-Dependent Energetics for Dehydrogenation: Implications in Li-Ion Battery Electrolyte Stability and Selective Oxidation Catalysis of Hydrogen-Containing Molecules ', Chemistry of Materials, vol. 31, no. 15, pp. 5464-5474 . https://doi.org/10.1021/acs.chemmater.9b00767

The hydrogen adsorption energetics on the surface of inorganic compounds can be used to predict electrolyte stability in Li-ion batteries and catalytic activity for selective oxidation of small molecules such as H2 and CH4. Using first-principles den

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::642fe6abe0222c865f6ee207fb1a878d
https://doi.org/10.1021/acs.chemmater.9b00767

Structural Diversity from Anion Order in Heteroanionic Materials

Autor: Richard J. Saballos, James M. Rondinelli, Nenian Charles

Publikováno v: Chemistry of Materials. 30:3528-3537

Heteroanionic materials leverage the advantages offered by two different anions coordinating the same or different cations to realize unanticipated or enhanced electronic, optical, and magnetic responses. Beyond chemical variations offered by the ani

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::75f51a7c1d558d5cb6307283eb821ef1
https://doi.org/10.1021/acs.chemmater.8b01336

Revealing Electronic Signatures of Lattice Oxygen Redox in Lithium Ruthenates and Implications for High-Energy Li-Ion Battery Material Designs

Autor: Thomas Kroll, Livia Giordano, John Vinson, Cheng-Jun Sun, Magali Gauthier, Wesley T. Hong, Dimosthenis Sokaras, Filippo Maglia, Ronghui Kou, Nenian Charles, Pinar Karayaylali, Roland Jung, Yang Shao-Horn, S. Nowak, Yang Yu, Qinghao Li

Anion redox in lithium transition metal oxides such as Li(2)RuO(3) and Li(2)MnO(3,) has catalyzed intensive research efforts to find transition metal oxides with anion redox that may boost the energy density of lithium-ion batteries. The physical ori

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7b46e4fb946866a0fb95ed2143e8975
http://hdl.handle.net/10281/348617