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PRX Energy - December 2023

PRX Energy

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Volume 2, Issue 4

October - December 2023
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Perspective
What Can Sb2Se3 Solar Cells Learn from CdTe?
C. H. Don, T. P. Shalvey, and J. D. Major
PRX Energy 2, 041001 (2023) – Published 24 October 2023

In this Perspective, antimony selenide (Sb2Se3) is explored as a promising material for solar cells by considering key lessons learned from CdTe. Despite challenges, research and development efforts could make Sb2Se3 a competitive player in the solar energy industry.

Featured in Physics
Unsteady Inherent Convective Mixing in Thermal-Energy-Storage Systems during Standby Periods
Henning Otto, Clemens Naumann, Christian Odenthal, and Christian Cierpka
PRX Energy 2, 043001 (2023) – Published 2 October 2023
Physics logo
Synopsis:Turbulent Jets Doubly Detrimental to Fluid-Based Batteries

Experimental studies of the fluid dynamics of small- and large-scale stratified-thermal-storage tanks demonstrate that inherent flow near the tank sidewalls increases mixing of the hot and cold fluid layers and decreases the energy storage efficiency.

Alkali Mono-Pnictides: A New Class of Photovoltaic Materials by Element Mutation
Yu Kumagai, Seán R. Kavanagh, Issei Suzuki, Takahisa Omata, Aron Walsh, David O. Scanlon, and Haruhiko Morito
PRX Energy 2, 043002 (2023) – Published 3 October 2023

Theory and experiment are combined in unveiling a class of solar cell materials in an effort to improve power conversion efficiency.

Physics-Informed Machine Learning for Power Grid Frequency Modeling
Johannes Kruse, Eike Cramer, Benjamin Schäfer, and Dirk Witthaut
PRX Energy 2, 043003 (2023) – Published 4 October 2023

Toward unlocking the mysteries of power grid dynamics, a physics-inspired machine learning model reveals hidden dependencies and enables precise probabilistic predictions in the power system of continental Europe.

Metal Halide Thermoelectrics: Prediction of High-Performance CsCu2I3
Jong Woong Park, Young-Kwang Jung, and Aron Walsh
PRX Energy 2, 043004 (2023) – Published 6 October 2023

A first-principles approach is used to predict the thermoelectric performance of a metal halide with low-dimensional connectivity, providing insight into structure-property relationships.

Modeling Intercalation Chemistry with Multiredox Reactions by Sparse Lattice Models in Disordered Rocksalt Cathodes
Peichen Zhong, Fengyu Xie, Luis Barroso-Luque, Liliang Huang, and Gerbrand Ceder
PRX Energy 2, 043005 (2023) – Published 9 October 2023

The intercalation voltage profile of a disordered rocksalt cathode with site disorder and complex redox chemistry is modeled with advanced computational methods.

Equivalent Circuit and Continuum Modeling of the Impedance of Electrolyte-Filled Pores
Christian Pedersen, Timur Aslyamov, and Mathijs Janssen
PRX Energy 2, 043006 (2023) – Published 10 October 2023

This work uses ladder circuits and continuum modeling to describe the impedance of a porous electrode in an electrolyte reservoir, with implications for modeling supercapacitor, battery, and fuel cell electrodes.

Preferential Cyber Defense for Power Grids
Mohammadamin Moradi, Yang Weng, John Dirkman, and Ying-Cheng Lai
PRX Energy 2, 043007 (2023) – Published 23 October 2023

To safeguard electric power grids from random failures and cyberattacks, a reinforcement learning approach is developed using linear temporal logic to efficiently allocate limited resources, promising improved defense for critical cyberphysical systems.

Highly Active Oxygen Reduction Electrocatalysts Derived from an Iron-Porphyrin Framework
Mark C. Elvington, Prabhu Ganesan, Patrick A. Ward, Jian Liu, Ahmet Atilgan, Boris V. Kramar, Karren More, David Cullen, Joseph T. Hupp, Scott Greenway, W. Taylor Adams, IV, and Héctor R. Colón-Mercado
PRX Energy 2, 043008 (2023) – Published 25 October 2023

An efficient electrocatalyst for the oxygen reduction reaction, made using a straightforward process with low-cost materials, brings us closer to affordable fuel cells without expensive metals like platinum.

Spatio-Temporal Electron Propagation Dynamics in Au/Fe/MgO(001) in Nonequilibrium: Revealing Single Scattering Events and the Ballistic Limit
Markus Heckschen, Yasin Beyazit, Elaheh Shomali, Florian Kühne, Jesumony Jayabalan, Ping Zhou, Detlef Diesing, Markus E. Gruner, Rossitza Pentcheva, Axel Lorke, Björn Sothmann, and Uwe Bovensiepen
PRX Energy 2, 043009 (2023) – Published 30 October 2023

The transport dynamics of photoexcited electrons in an iron-gold model system are studied with a combination of advanced experimental and computational methods, revealing transport mechanisms with implications for efficient light-energy conversion technologies.

Self-Regulated Ligand-Metal Charge Transfer upon Lithium-Ion Deintercalation Process from LiCoO2 to CoO2
Roberto Fantin, Ambroise van Roekeghem, and Anass Benayad
PRX Energy 2, 043010 (2023) – Published 3 November 2023

Using X-ray photoelectron spectroscopy and ab-initio simulations, this study reveals the changes in electronic structure upon discharge for LixCoO2, an archetypal cathode material for lithium-ion batteries.

Impact of Mobile Ions on Transient Capacitance Measurements of Perovskite Solar Cells
Moritz C. Schmidt, Emilio Gutierrez-Partida, Martin Stolterfoht, and Bruno Ehrler
PRX Energy 2, 043011 (2023) – Published 13 November 2023

This study uses simulations and transient capacitance measurements to explore ion migration in halide perovskite photovoltaic devices, demonstrating that device properties significantly impact the interpretation of capacitance transients.

Structural-Evolution Dynamics and Structural-Defect Suppression in High-Efficiency All-Polymer Solar Cells via Dilution Effect
Zhen Fu, Tong Wang, Wen-Qing Zhang, Jia-Wei Qiao, Feng-Zhe Cui, Hang Yin, Xiao-Yan Du, Qin Wei, and Xiao-Tao Hao
PRX Energy 2, 043012 (2023) – Published 20 November 2023

Toward optimizing the performance of all-polymer organic solar cells, a versatile experimental approach is employed in which polystyrene helps stabilize the structure of the active layer and reduce defects that lead to trap states.

Kinetic Effects of Anion Clusters on the Interfacial Stability between Solid-State Electrolyte and Metal Anode
Hong Fang and Puru Jena
PRX Energy 2, 043013 (2023) – Published 7 December 2023

Using explicit interface simulations, this study demonstrates that selected anionic clusters can kinetically stabilize the electrode-electrolyte interface in a solid-state battery by forming stable interphases.

Perspective
Sustainability Strategy for the Cool Copper Collider
Martin Breidenbach, Brendon Bullard, Emilio Alessandro Nanni, Dimitrios Ntounis, and Caterina Vernieri
PRX Energy 2, 047001 (2023) – Published 26 October 2023

In the pursuit of advancing particle physics and gaining deeper insights into the Higgs boson, proposals for electron-positron colliders are being examined. This Perspective takes a closer look at one such collider, the Cool Copper Collider, and introduces strategies aimed at minimizing its carbon footprint, while also conducting a thoughtful comparison with other Higgs factories.

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