First-principles phonon calculations with phonopy and phono3py

A Togo - Journal of the Physical Society of Japan, 2023 - journals.jps.jp
Harmonic, quasi-harmonic, and anharmonic phonon properties of crystals are getting to be
better predicted using first-principles phonon calculations by virtue of the progress of the …

Electrocatalysis in alkaline media and alkaline membrane-based energy technologies

Y Yang, CR Peltier, R Zeng, R Schimmenti, Q Li… - Chemical …, 2022 - ACS Publications
Hydrogen energy-based electrochemical energy conversion technologies offer the promise
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …

Efficient blue electroluminescence from reduced-dimensional perovskites

S Yuan, L Dai, Y Sun, F Auras, YH Zhou, RZ An… - Nature …, 2024 - nature.com
Perovskite light-emitting diodes (LEDs) show promises for next-generation displays owing to
their excellent luminescent properties and low cost. Despite substantial progress with green …

RETRACTED ARTICLE: Evidence of near-ambient superconductivity in a N-doped lutetium hydride

N Dasenbrock-Gammon, E Snider, R McBride… - Nature, 2023 - nature.com
The absence of electrical resistance exhibited by superconducting materials would have
enormous potential for applications if it existed at ambient temperature and pressure …

Room-temperature magnetoresistance in an all-antiferromagnetic tunnel junction

P Qin, H Yan, X Wang, H Chen, Z Meng, J Dong, M Zhu… - Nature, 2023 - nature.com
Abstract Antiferromagnetic spintronics,,,,,,,,,,,,,,–is a rapidly growing field in condensed-
matter physics and information technology with potential applications for high-density and …

Octupole-driven magnetoresistance in an antiferromagnetic tunnel junction

X Chen, T Higo, K Tanaka, T Nomoto, H Tsai, H Idzuchi… - Nature, 2023 - nature.com
The tunnelling electric current passing through a magnetic tunnel junction (MTJ) is strongly
dependent on the relative orientation of magnetizations in ferromagnetic electrodes …

Fluorinated Li10GeP2S12 Enables Stable All‐Solid‐State Lithium Batteries

Y **, Q He, G Liu, Z Gu, M Wu, T Sun… - Advanced …, 2023 - Wiley Online Library
Abstract The instability of Li10GeP2S12 toward moisture and that toward lithium metal are
two challenges for the application in all‐solid‐state lithium batteries. In this work …

Possible High Superconductivity in under High Pressure through Manifestation of a Nearly Half-Filled Bilayer Hubbard Model

H Sakakibara, N Kitamine, M Ochi, K Kuroki - Physical Review Letters, 2024 - APS
Inspired by a recent experiment showing that La 3 Ni 2 O 7 exhibits high T c
superconductivity under high pressure, we theoretically revisit the possibility of …

Emerging atomistic modeling methods for heterogeneous electrocatalysis

Z Levell, J Le, S Yu, R Wang, S Ethirajan… - Chemical …, 2024 - ACS Publications
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …

Band gap narrowing in a high-entropy spinel oxide semiconductor for enhanced oxygen evolution catalysis

RR Katzbaer, FM dos Santos Vieira… - Journal of the …, 2023 - ACS Publications
High-entropy oxides (HEOs), which contain five or more metal cations that are generally
thought to be randomly mixed in a crystalline oxide lattice, can exhibit unique and enhanced …