Inorganic solid-state electrolytes for lithium batteries: mechanisms and properties governing ion conduction JC Bachman, S Muy, A Grimaud, HH Chang, N Pour, SF Lux, O Paschos, ...
Chemical reviews 116 (1), 140-162, 2016
2424 2016 Mechanochemical Synthesis: A Tool to Tune Cation Site Disorder and Ionic Transport Properties of Li3 MCl6 (M = Y, Er) Superionic Conductors R Schlem, S Muy, N Prinz, A Banik, Y Shao‐Horn, M Zobel, WG Zeier
Advanced Energy Materials 10 (6), 1903719, 2020
271 2020 Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro) catalysis and ferroelectricity J Hwang, Z Feng, N Charles, XR Wang, D Lee, KA Stoerzinger, S Muy, ...
Materials Today 31, 100-118, 2019
248 2019 Tuning mobility and stability of lithium ion conductors based on lattice dynamics S Muy, JC Bachman, L Giordano, HH Chang, DL Abernathy, D Bansal, ...
Energy & Environmental Science 11 (4), 850-859, 2018
230 2018 High-throughput screening of solid-state Li-ion conductors using lattice-dynamics descriptors S Muy, J Voss, R Schlem, R Koerver, SJ Sedlmaier, F Maglia, P Lamp, ...
Iscience 16, 270-282, 2019
207 2019 Cation-and pH-dependent hydrogen evolution and oxidation reaction kinetics B Huang, RR Rao, S You, K Hpone Myint, Y Song, Y Wang, W Ding, ...
Jacs Au 1 (10), 1674-1687, 2021
189 2021 Comparing the Descriptors for Investigating the Influence of Lattice Dynamics on Ionic Transport Using the Superionic Conductor Na3 PS4–x Sex T Krauskopf, S Muy, SP Culver, S Ohno, O Delaire, Y Shao-Horn, ...
Journal of the American Chemical Society 140 (43), 14464-14473, 2018
165 2018 Phonon–ion interactions: designing ion mobility based on lattice dynamics S Muy, R Schlem, Y Shao‐Horn, WG Zeier
Advanced Energy Materials 11 (15), 2002787, 2021
105 2021 Lithium Conductivity and Meyer-Neldel Rule in Li3 PO4 –Li3 VO4 –Li4 GeO4 Lithium Superionic Conductors S Muy, JC Bachman, HH Chang, L Giordano, F Maglia, S Lupart, P Lamp, ...
Chemistry of Materials 30 (16), 5573-5582, 2018
94 2018 Human-and machine-centred designs of molecules and materials for sustainability and decarbonization J Peng, D Schwalbe-Koda, K Akkiraju, T Xie, L Giordano, Y Yu, CJ Eom, ...
Nature Reviews Materials 7 (12), 991-1009, 2022
88 2022 Non-covalent interactions in electrochemical reactions and implications in clean energy applications B Huang, S Muy, S Feng, Y Katayama, YC Lu, G Chen, Y Shao-Horn
Physical Chemistry Chemical Physics 20 (23), 15680-15686, 2018
79 2018 Cation-dependent interfacial structures and kinetics for outer-sphere electron-transfer reactions B Huang, KH Myint, Y Wang, Y Zhang, RR Rao, J Sun, S Muy, ...
The Journal of Physical Chemistry C 125 (8), 4397-4411, 2021
60 2021 Enhancement of ion diffusion by targeted phonon excitation K Gordiz, S Muy, WG Zeier, Y Shao-Horn, A Henry
Cell Reports Physical Science 2 (5), 2021
41 2021 Ligand-dependent energetics for dehydrogenation: implications in Li-ion battery electrolyte stability and selective oxidation catalysis of hydrogen-containing molecules L Giordano, TM Østergaard, S Muy, Y Yu, N Charles, S Kim, Y Zhang, ...
Chemistry of Materials 31 (15), 5464-5474, 2019
36 2019 Non-invasive estimation of dissipation from non-equilibrium fluctuations in chemical reactions S Muy, A Kundu, D Lacoste
The Journal of chemical physics 139 (12), 2013
21 2013 AiiDA-defects: An automated and fully reproducible workflow for the complete characterization of defect chemistry in functional materials S Muy, C Johnston, N Marzari
Electronic Structure 5 (2), 024009, 2023
8 2023 Revealing the Interplay of Local Environments and Ionic Transport in Perovskite Solid Electrolytes J Kim, K Gordiz, D Vivona, L Hu, C Gilgenbach, BA Tappan, S Muy, ...
ACS nano 18 (45), 31234-31243, 2024
1 2024 On the design of solid-state Li-ion batteries S Muy, N Marzari
Nature Computational Science 1 (3), 179-180, 2021
1 2021 Ion Transport at Polymer–Argyrodite Interfaces Y Chen, D Liang, EMY Lee, S Muy, M Guillaume, MD Braida, AA Emery, ...
ACS applied materials & interfaces 16 (36), 48223-48234, 2024
2024 Optimizing ionic conductivity of lithium in Li S Muy, TL Mercier, M Dufour, MD Braida, AA Emery, N Marzari
arXiv preprint arXiv:2407.15258, 2024
2024 
Yang Shao-HornMITAdresse e-mail validée de mit.edu
