Advancements in computational approaches for rapid metal site discovery in carbon-based materials for electrocatalysis

Energy Adv., 2023, Advance Article
DOI: 10.1039/D3YA00321C, Review Article
Open Access Open Access
Somayeh Faraji, Zhiyu Wang, Paola Lopez-Rivera, Mingjie Liu
Computational approaches including quantum simulations, virtual high-throughput screening and machine learning accelerate the advance electrocatalysts discovery with proper accuracy and efficiency.
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A coupled reinforcement learning and IDAES process modeling framework for automated conceptual design of energy and chemical systems

Energy Adv., 2023, 2,1735-1751
DOI: 10.1039/D3YA00310H, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Dewei Wang, Jie Bao, Miguel A. Zamarripa-Perez, Brandon Paul, Yunxiang Chen, Peiyuan Gao, Tong Ma, Alexander A. Noring, Arun K. S. Iyengar, Daniel T. Schwartz, Erica E. Eggleton, Qizhi He, Andrew Liu, Olga A. Marina, Brian Koeppel, Zhijie Xu
This study introduces an advanced automated system for designing diverse chemical or electrochemical systems, requiring minimal user expertise, and enabling designing and optimization from scratch.
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Pressure dependence of ionic conductivity in site disordered lithium superionic argyrodite Li6PS5Br

Energy Adv., 2023, Advance Article
DOI: 10.1039/D3YA00424D, Paper
Open Access Open Access
Vasiliki Faka, Matthias T. Agne, Paul Till, Tim Bernges, Marcel Sadowski, Ajay Gautam, Karsten Albe, Wolfgang G. Zeier
The activation volume of a mobile ion can be determined from pressure dependent conductivity measurements. In Br/S2− site disordered lithium argyrodites Li6PS5Br, the activation volume is increasing with increasing site disorder.
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Electrowetting limits electrochemical CO2 reduction in carbon-free gas diffusion electrodes

Energy Adv., 2023, Advance Article
DOI: 10.1039/D3YA00285C, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lorenz M. Baumgartner, Andrey Goryachev, Christel I. Koopman, David Franzen, Barbara Ellendorff, Thomas Turek, David A. Vermaas
Electrowetting leads to flooding of silver-based, carbon-free gas diffusion electrodes for CO2 electrolysis.
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Screening the deep eutectic electrolytes for supercapacitors with alleviated self-discharge

Energy Adv., 2023, Accepted Manuscript
DOI: 10.1039/D3YA00390F, Paper
Open Access Open Access
Wenxia Huang, Xiaohui Yan, Yige Xiong, Qihui Guo, Xin Zhang, Fengyu Huang, Houqiang Shi, Xiang Ge
Self-discharge in supercapacitors is a major challenge and it’s mainly determined by the property of the electrolyte. The emergence of deep eutectic solvents (DESs) provides a promising research frontier, but...
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Electrostatic modulation of thermoelectric transport properties of 2H-MoTe2

Energy Adv., 2023, Advance Article
DOI: 10.1039/D3YA00316G, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Tianhui Zhu, Sree Sourav Das, Safoura Nayeb Sadeghi, Farjana Ferdous Tonni, Sergiy Krylyuk, Costel Constantin, Keivan Esfarjani, Albert V. Davydov, Mona Zebarjadi
Two-dimensional layered transition metal dichalcogenides are potential thermoelectric candidates with application in on-chip integrated nanoscale cooling and power generation.
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Rear Textured p-type High Temperature Passivating Contacts and their Implementation in Perovskite/Silicon Tandem Cells

Energy Adv., 2023, Accepted Manuscript
DOI: 10.1039/D3YA00048F, Communication
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Arnaud Walter, Brett Kamino, Soo-Jin Moon, Patrick Wyss, Juan José Díaz Léon, Christophe Allebé, Antoine Descoeudres, Sylvain Nicolay, Christophe Ballif, Quentin Jeangros, Andrea Ingenito
Silicon solar cells based on high temperature passivating contacts are becoming mainstream in the photovoltaic industry. Here, we developed a high-quality boron-doped poly-silicon hole contact. When combined with a co-processed...
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High entropy materials—emerging nanomaterials for electrocatalysis

Energy Adv., 2023, Advance Article
DOI: 10.1039/D3YA00305A, Review Article
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hang Li, Li Ling, Shengfa Li, Feng Gao, Qingyi Lu
In this review, we present the key synthetic strategies for the preparation of high entropy materials and their applications in different electrocatalysis reactions.
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An Fe3O4 based hole transport bilayer for efficient and stable perovskite solar cells

Energy Adv., 2023, Advance Article
DOI: 10.1039/D3YA00014A, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Akbar Ali Qureshi, Emilia R. Schütz, Sofia Javed, Lukas Schmidt-Mende, Azhar Fakharuddin
Insertion of a thin inorganic Fe3O4 layer between perovskite and spiro-OMeTAD improves charge extraction and device efficiency and also boosts device shelf-life stability.
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Flexible direct synthesis of phosphorus-rich CoP3 on carbon black and its examination in hydrogen evolution electrocatalysis

Energy Adv., 2023, Advance Article
DOI: 10.1039/D3YA00295K, Paper
Open Access Open Access
Ishanka A. Liyanage, Hannah Barmore, Edward G. Gillan
The reaction of CoCl2 on carbon black with phosphorus yields crystalline CoP3 particles on a carbon.  Low CoP3 (5–25 mol%) content is distributed on the carbon support and shows electrocatalytic hydrogen evolution activity similar to bulk CoP3.
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