High-energy composite cathode for solid-state lithium-oxygen battery boosted by ultrafine carbon nanotube catalysts and amorphous lithium peroxide

X Yi, X Liu, B Qin, X Zhao, KW Leong, W Pan… - Materials Today …, 2023 - Elsevier
Rechargeable solid-state lithium-oxygen batteries (SSLOBs) promise high energy density
and safety but suffer from the severe interface impedance in composite cathodes and the …

High-Pressure Structural Transformation Pathway and Electronic Properties of AgGaTe2: Ab Initio Evolutionary Structural Searching

K Kotmool, P Tsuppayakorn-aek, W Luo… - The Journal of …, 2022 - ACS Publications
We have used systematic ab initio evolutionary structural searching to uncover the high-
pressure transformation pathway of a promising thermoelectric material, AgGaTe2. The …

[HTML][HTML] Theoretical predictions for low-temperature phases, softening of phonons and elastic stiffnesses, and electronic properties of sodium peroxide under high …

P Jimlim, P Tsuppayakorn-Aek, T Pakornchote… - RSC …, 2019 - pubs.rsc.org
High-pressure phase stabilities up to 600 K and the related properties of Na2O2 under
pressures up to 300 GPa were investigated using first-principles calculations and the quasi …

Lithium vacancy migration in Li2O2: from first principles studies

Z Gan, X Lei, W Wu, S Zhong - Computational Materials Science, 2020 - Elsevier
Li ion diffusion in the discharge products (Li 2 O 2) of the Li-O 2 batteries is relevant to the
performance of the battery. In this paper, Li-vacancy migration in the bulk and at the surfaces …

Structural phase transitions and electronic properties of LI2o2 and Na2o2 under high pressure for Co2 capture application

P Jimlim - 2019 - digital.car.chula.ac.th
Since pressure induces exotic chemical and physical properties of materials, investigation of
the high-pressure effect on structural phase transition and the related properties is …