Pushing Forward Simulation Techniques of Ion Transport in Ion Conductors for Energy Materials

by Canepa, Pieremanuele
Published 2022

Role of Electronic Passivation in Stabilizing Solid Electrolyte Interphases

by Li, Yuheng, Canepa, Pieremanuele, Gorai, Prashun
Published 2022

Modeling the effects of salt concentration on aqueous and organic electrolytes

by van der Lubbe, Stephanie CC, Canepa, Pieremanuele
Published 2024

Strategies for fitting accurate machine-learned inter-atomic potentials for solid electrolytes

by Wang, Juefan, Panchal, Abhishek A, Canepa, Pieremanuele
Published 2023

Solid Electrolytes in the Spotlight

by Doeff, Marca M, Clement, Raphaele J, Canepa, Pieremanuele
Published 2023

On the Active Components in Crystalline Li-Nb-O and Li-Ta-O Coatings from First Principles

by Chen, Hengning, Deng, Zeyu, Li, Yuheng, Canepa, Pieremanuele
Published 2024

H2O and CO2 surface contamination of the lithium garnet Li7La3Zr2O12 solid electrolyte

by Li, Yuheng, Prabhu, Asmee M, Choksi, Tej S, Canepa, Pieremanuele
Published 2023

Searching Ternary Oxides and Chalcogenides as Positive Electrodes for Calcium Batteries

by Lu, Wang, Wang, Juefan, Sai Gautam, Gopalakrishnan, Canepa, Pieremanuele
Published 2021

Mechanisms of Electronic and Ionic Transport during Mg Intercalation in Mg-S Cathode Materials and Their Decomposition Products

by Vincent, Smobin, Chang, Jin Hyun, Canepa, Pieremanuele, Garcia-Lastra, Juan Maria
Published 2024

Thermal Conductivities of Lithium-Ion-Conducting Solid Electrolytes

by Boeger, Thorben, Bernges, Tim, Li, Yuheng, Canepa, Pieremanuele, Zeier, Wolfgang G
Published 2024

Effects of Grain Boundaries and Surfaces on Electronic and Mechanical Properties of Solid Electrolytes

by Xie, Weihang, Deng, Zeyu, Liu, Zhengyu, Famprikis, Theodosios, Butler, Keith T, Canepa, Pieremanuele
Published 2024

Unlocking the Inaccessible Energy Density of Sodium Vanadium Fluorophosphate Electrode Materials by Transition Metal Mixing

by van der Lubbe, Stephanie CC, Wang, Ziliang, Lee, Damien KJ, Canepa, Pieremanuele
Published 2024

Mechanisms of Electronic and Ionic Transport during Mg Intercalation in Mg–S Cathode Materials and Their Decomposition Products

by Vincent, Smobin, Chang, Jin Hyun, Canepa, Pieremanuele, Garc´ıa-Lastra, Juan Maria
Published 2023

Rational Design of Mixed Polyanion Electrodes NaxV2P3-i(Si/S)iO12 for Sodium Batteries

by Kapoor, Vishakha, Singh, Baltej, Sai Gautam, Gopalakrishnan, Cheetham, Anthony K, Canepa, Pieremanuele
Published 2022

Design and Characterization of Host Frameworks for Facile Magnesium Transport

by Gao, Yirong, Mishra, Tara P, Bo, Shou-Hang, Gautam, Gopalakrishnan Sai, Canepa, Pieremanuele
Published 2022

A database of computed Raman spectra of inorganic compounds with accurate hybrid functionals

by Li, Yuheng, Lee, Damien KJ, Cai, Pengfei, Zhang, Ziyi, Gorai, Prashun, Canepa, Pieremanuele
Published 2024

Understanding the Structural and Electronic Properties of Bismuth Trihalides and Related Compounds

by Deng, Zeyu, Wei, Fengxia, Wu, Yue, Seshadri, Ram, Cheetham, Anthony K, Canepa, Pieremanuele
Published 2022

Exploration of NaSICON Frameworks as Calcium-Ion Battery Electrodes

by Tekliye, Dereje Bekele, Kumar, Ankit, Weihang, Xie, Mercy, Thelakkattu Devassy, Canepa, Pieremanuele, Sai Gautam, Gopalakrishnan
Published 2022

kMCpy: A python package to simulate transport properties in solids with kinetic Monte Carlo

by Deng, Zeyu, Mishra, Tara P, Xie, Weihang, Saeed, Daanyal Ahmed, Gautam, Gopalakrishnan Sai, Canepa, Pieremanuele
Published 2024

Metal-free perovskites for non linear optical materials

by Kasel, Thomas W, DENG ZEYU, Mroz, Austin M, Hendon, Christopher H, Butler, Keith T, Canepa, Pieremanuele
Published 2019