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Tuesday, August 1, 2023

PRX Energy - July 2023

PRX Energy

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Volume 2, Issue 3 (partial)

July - September 2023
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Air-Sensitivity Study on LiNiO2 Layered Cathode Materials by Using Ab Initio Molecular Dynamics Simulations
Xian-Qi Xu, Jun-Yan Chen, Jia-Hua Liu, Yi-Ning Jia, Chi Fang, Jun-Yu Jiao, Feng Pan, Jia-Xin Zheng, Yao Jiang, Bo Xu, and Chu-Ying Ouyang
PRX Energy 2, 033001 (2023) – Published 6 July 2023

Using simulations, this study explores the atomic-scale mechanism of air sensitivity of a LiNiO2 cathode material; consequently, doping strategies are proposed to improve stability for lithium batteries.

Quantum Dynamics for Energetic Advantage in a Charge-Based Classical Full Adder
João P. Moutinho, Marco Pezzutto, Sagar Silva Pratapsi, Francisco Ferreira da Silva, Silvano De Franceschi, Sougato Bose, António T. Costa, and Yasser Omar
PRX Energy 2, 033002 (2023) – Published 12 July 2023

A proposal for quantum-based classical computation shows how approaches from quantum computing may enable energy-efficient classical information processing and highlights energy costs that currently limit this technology.

Geodesic Lower Bound of the Energy Consumption to Achieve Membrane Separation within Finite Time
Jin-Fu Chen, Ruo-Xun Zhai, C. P. Sun, and Hui Dong
PRX Energy 2, 033003 (2023) – Published 19 July 2023

Membrane technologies promise energy-efficient processes for separation of mixtures. The tradeoff between operation time and energy consumption posts constraint on the optimization of such processes. Here the authors establish an equivalence between optimizing the energy consumption within given operation time to finding the geodesic curve in a geometric space.

Thermal Contributions to the Local and Long-Range Structural Disorder in CH3NH3PbBr3
Nicholas J. Weadock, Cameron MacKeen, Xixi Qin, Louis Waquier, Yevgeny Rakita, Julian A. Vigil, Hemamala I. Karunadasa, Volker Blum, Michael F. Toney, and Frank Bridges
PRX Energy 2, 033004 (2023) – Published 21 July 2023

A combination of experimental techniques and simulations show that thermally activated dynamics are the main component of structural disorder in lead halide perovskites, rather than static disorder.

Comparative Study of Magnetocaloric Properties for Gd3+ Compounds with Different Frustrated Lattice Geometries
EliseAnne C. Koskelo, Paromita Mukherjee, Cheng Liu, Alice C. Sackville Hamilton, Harapan S. Ong, Claudio Castelnovo, M.E. Zhitomirsky, and Siân E. Dutton
PRX Energy 2, 033005 (2023) – Published 31 July 2023

Using experiment and simulations, a comparison of four candidate magnetocaloric materials provides insight for the design of efficient refrigerant materials.

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