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Friday, March 1, 2024

PRX Energy - February 2024

PRX Energy

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Volume 3, Issue 1 (partial)

January - March 2024
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Perspective
Inductive and Capacitive Hysteresis of Current-Voltage Curves: Unified Structural Dynamics in Solar Energy Devices, Memristors, Ionic Transistors, and Bioelectronics
Juan Bisquert
PRX Energy 3, 011001 (2024) – Published 8 January 2024

This Perspective considers current-voltage hysteresis across a wide range of systems, including photovoltaics, memristors, and ion-conducting channels, and finds that all exhibit one of two primary hysteresis types.

Complex Structure of Molten FLiBe (2LiF–BeF2) Examined by Experimental Neutron Scattering, X-Ray Scattering, and Deep-Neural-Network Based Molecular Dynamics
Sean Fayfar, Rajni Chahal, Haley Williams, D. Nathanael Gardner, Guiqiu Zheng, David Sprouster, Jörg C. Neuefeind, Dan Olds, Andrea Hwang, Joanna Mcfarlane, Ryan C. Gallagher, Mark Asta, Stephen Lam, Raluca O. Scarlat, and Boris Khaykovich
PRX Energy 3, 013001 (2024) – Published 5 January 2024

Using neutrons and x-rays, along with large-scale molecular dynamics simulations that incorporate machine learning, the authors report the liquid structure of 2LiF-BeF2, a molten salt for next-generation nuclear reactors.

Population-Density Bounds for 100% Domestic Renewable Energy Generation
Dorte Nørgaard Madsen, Jan Petter Hansen, and Jan Emblemsvåg
PRX Energy 3, 013002 (2024) – Published 12 January 2024

By introducing a "One Hectare Country" model that supports a fully sustainable European-like lifestyle for one person, the authors find that the size is at least a factor of two too small; huge land areas are required to maintain the assumed standard of living with fully renewable energy.

Revealing the Bonding Nature and Electronic Structure of Early-Transition-Metal Dihydrides
Curran Kalha, Laura E. Ratcliff, Giorgio Colombi, Christoph Schlueter, Bernard Dam, Andrei Gloskovskii, Tien-Lin Lee, Pardeep K. Thakur, Prajna Bhatt, Yujiang Zhu, Jürg Osterwalder, Francesco Offi, Giancarlo Panaccione, and Anna Regoutz
PRX Energy 3, 013003 (2024) – Published 16 January 2024

By combining experiment and theory, this study unveils a direct link between the electronic states in metal hydrides and their enthalpy of formation, advancing our understanding and potential applications in energy materials, catalysis, and gas storage.

Quantifying Electrochemical Degradation in Single-Crystalline LiNi0.8Mn0.1Co0.1O2–Graphite Pouch Cells through Operando X-Ray and Postmortem Investigations
Ashok S. Menon, Nickil Shah, James A. Gott, Eleni Fiamegkou, Matthew J. W. Ogley, Galo J. Páez Fajardo, Naoum Vaenas, Ieuan Ellis, N. Ravichandran, P. Cloetens, D. Karpov, J.M. Warnett, Paul Malliband, David Walker, Geoff West, Melanie Loveridge, and Louis F.J. Piper
PRX Energy 3, 013004 (2024) – Published 23 January 2024

Using lab-based operando X-ray and post-mortem techniques, researchers visualize the origins of electrochemical capacity fade under high-voltage conditions in pilot line single-crystalline LiNi0.8Mn0.1Co0.1O2-graphite cells.

Complex Couplings - A Universal, Adaptive, and Bilinear Formulation of Power Grid Dynamics
Anna Büttner and Frank Hellmann
PRX Energy 3, 013005 (2024) – Published 7 February 2024

In a shift towards renewable energy, power grids are going through significant transformations. Here, the authors employ analytical tools from various fields to unveil a universal model that, despite its simplicity, robustly captures the complexities of the entire grid.

Grain-Boundary Structural Relaxation in Sb2Se3 Thin-Film Photovoltaics
R.A. Lomas-Zapata, K.P. McKenna, Q.M. Ramasse, R.E. Williams, L.J. Phillips, K. Durose, J.D. Major, and B.G. Mendis
PRX Energy 3, 013006 (2024) – Published 8 February 2024

Experiment and theory suggest that Sb2Se3 is intrinsically tolerant to defects at grain boundaries, a key requirement for highly efficient thin-film photovoltaics.

Featured in Physics
Ternary Oxides of s- and p-Block Metals for Photocatalytic Solar-to-Hydrogen Conversion
Simon Gelin, Nicole E. Kirchner-Hall, Rowan R. Katzbaer, Monica J. Theibault, Yihuang Xiong, Wayne Zhao, Mohammed M. Khan, Eric Andrewlavage, Paul Orbe, Steven M. Baksa, Matteo Cococcioni, Iurii Timrov, Quinn Campbell, Héctor Abruña, Raymond E. Schaak, and Ismaila Dabo
PRX Energy 3, 013007 (2024) – Published 13 February 2024
Physics logo
Synopsis:A Sunny Path to Green Hydrogen

Computational materials design is combined with synthesis and electrochemical characterization to propose nine oxide semiconductors as water-splitting photocatalysts.

Predicting Thermochemical Equilibria with Interacting Defects: Sr1−xCexMnO3−δ Alloys for Water Splitting
Anuj Goyal, Michael D. Sanders, Ryan P. O'Hayre, and Stephan Lany
PRX Energy 3, 013008 (2024) – Published 16 February 2024

Thermochemical equilibria are predicted for water splitting redox processes for Sr-Ce-Mn oxide alloys by combining a first principles simulations study with a statistical mechanics-based approach.

Theory of Tribovoltaics: Direct Current Generation at a p-n Semiconductor Interface
Morten Willatzen, Zhiwei Zhang, and Zhong Lin Wang
PRX Energy 3, 013009 (2024) – Published 20 February 2024

A quantum-mechanical model of tribovoltaics is developed and numerically verified, providing an understanding of direct current generation at a sliding p−n semiconductor interface.

Stability Criterion for Electrodeposition in Solid-State Batteries with Metallic Anodes
Yuanpeng Liu, Jiawei Zhang, Bowen Zhang, Haowen Gao, Dongjiang Chen, Mingsheng Wang, and Changguo Wang
PRX Energy 3, 013010 (2024) – Published 21 February 2024

To benefit material selection and design of solid electrolytes for high-energy-density batteries, molecular simulations are combined with in situ experiments to understand and provide guidance for achieving stable electrodeposition.

Stability Analysis of Electrical Microgrids and Their Control Systems
O. Smith, S. Coombes, and R.D. O'Dea
PRX Energy 3, 013011 (2024) – Published 27 February 2024

This work presents a versatile and efficient mathematical framework for analyzing the stability of a decentralized renewable power grid, allowing rapid benchmarking of control system prototypes.

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