Anisotropic ion diffusion in [alpha]-Cr₂O₃: an atomistic simulation study

by Wells, Daniel, Cao, Penghui, Short, Michael P
Published 2018

Towards identifying the active sites on RuO 2 (110) in catalyzing oxygen evolution

by Rao, Reshma R., Stoerzinger, Kelsey Ann, Giordano, Livia, Shao-Horn, Yang
Published 2020

Revealing electrolyte oxidation via carbonate dehydrogenation on Ni-based oxides in Li-ion batteries by in situ Fourier transform infrared spectroscopy

by Zhang, Yirui, Katayama, Yu, Tatara, Ryoichi, Giordano, Livia, Yu, Yang, Fraggedakis, Dimitrios, Sun, Jame Guangwen, Maglia, Filippo, Jung, Roland, Bazant, Martin Z, Shao-Horn, Yang
Published 2020

Non-covalent interactions in electrochemical reactions and implications in clean energy applications

by Huang, Botao, Muy, Sokseiha, Feng, Shuting, Katayama, Yu, Lu, Yi-Chun, Chen, Gang, Shao-Horn, Yang
Published 2018

Highly adjustable 3D nano-architectures and chemistries

by Ohmura, Jacqueline Frances, Burpo, Fred J., Lescott, Chamille J., Ransil, Alan Patrick, Yoon, Youngmin, Records, William Christopher, Belcher, Angela M
Published 2019

Gradient-morph LiCoO2 single crystals with stabilized energy density above 3400 W h L−1

by Zhu, Zhi, Yu, Daiwei, Shi, Zhe, Gao, Rui, Xiao, Xianghui, Waluyo, Iradwikanari, Ge, Mingyuan, Dong, Yanhao, Xue, Weijiang, Xu, Guiyin, Lee, Wah-Keat, Hunt, Adrian, Li, Ju
Published 2021

Interplay between H₂O and CO₂ coadsorption and space-charge on Y-doped BaZrO₃ surfaces

by Yildiz, Bilge, Polfus, Jonathan M, Yang, Jing
Published 2019

Towards controlling the reversibility of anionic redox in transition metal oxides for high-energy Li-ion positive electrodes

by Yu, Yang, Karayaylali, Pinar, Sokaras, Dimosthenis, Giordano, Livia, Kou, Ronghui, Sun, Cheng-Jun, Maglia, Filippo, Jung, Roland, Gittleson, Forrest S., Shao-Horn, Yang
Published 2021

Multi-fidelity prediction of molecular optical peaks with deep learning

by Greenman, Kevin P, Green Jr, William H, Gomez-Bombarelli, Rafael
Published 2022

Active learning and neural network potentials accelerate molecular screening of ether-based solvate ionic liquids

by Wang, Wujie, Yang, Tzuhsiung, Harris, William H., Gómez-Bombarelli, Rafael
Published 2020

Mechanisms of the cyclic (de)lithiation of RuO2

by Xu, Lin, Thompson, Carl Vernette
Published 2020

Niobium oxide dihalides NbOX 2: a new family of two-dimensional van der Waals layered materials with intrinsic ferroelectricity and antiferroelectricity

by Li, Ju
Published 2020

Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO

by Lee, Yueh Lin, Gadre, milind Jayram, Shao-Horn, Yang, Morgan, Dane
Published 2017