Coarse-grained molecular dynamics modeling and analysis of graded porous electrodes of reversible solid oxide cells sintered in two steps

J. Mater. Chem. A, 2023, Advance Article
DOI: 10.1039/D3TA04802K, Paper
Chao Yang, Ran Guo, Yu Wu, Baowei Pan, Jiatang Wang, Jinliang Yuan
Two-step sintering is proposed for preparing a tri-layer skeleton composed of graded nanoparticles. Effects on the sintering behavior, microstructure and stress for graded nanoparticles are investigated by a coarse-grained molecular dynamics method.
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Composite polymer electrolytes incorporating two-dimensional metal–organic frameworks for ultralong cycling in solid-state lithium batteries

J. Mater. Chem. A, 2023, Advance Article
DOI: 10.1039/D3TA04074G, Paper
Han Jiang, Yongqian Du, Xuanyu Liu, Jiangrong Kong, Meiqi Huang, Peng Liu, Tao Zhou
Solid polymer electrolytes (SPEs) present substantial potential for use in solid-state lithium batteries; however, their authentic usability is presently curbed by their inadequate ionic conductivity and restricted lithium-ion mobility.
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Role of cavities created by azobenzene-modified UiO-66 in bulky ionic liquid for high photoresponsive CO2 uptake behavior

J. Mater. Chem. A, 2023, 11,21058-21065
DOI: 10.1039/D3TA04786E, Paper
Meng-Meng Li, Manish Kumar Dinker, Yang Liu, Mingrui Zuo, Lifeng Ding, Xiao-Qin Liu, Lin-Bing Sun
Cavities (intrinsic/extrinsic) are created in porous liquid by ionic liquid surrounding MOF with pendant azo-group which bends under UV-light and dissipates the extrinsic cavities. Thus, a large change in CO2 uptake is achieved under UV/Vis light.
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Direct observations of electrochemically induced intergranular cracking in polycrystalline NMC811 particles

J. Mater. Chem. A, 2023, 11,21322-21332
DOI: 10.1039/D3TA03057A, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Huw C. W. Parks, Adam M. Boyce, Aaron Wade, Thomas M. M. Heenan, Chun Tan, Emilio Martínez-Pañeda, Paul R. Shearing, Dan J. L. Brett, Rhodri Jervis
Establishing the nature of crack generation, formation, and propagation is paramount to understanding the degradation modes that govern decline in battery performance.
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Recent progress in metal halide perovskite-based photocatalysts: physicochemical properties, synthetic strategies, and solar-driven applications

J. Mater. Chem. A, 2023, Advance Article
DOI: 10.1039/D3TA04149B, Review Article
Yanmei Feng, Daimei Chen, Min Niu, Yi Zhong, Hao Ding, Yingmo Hu, Xiangfeng Wu, Zhongyong Yuan
Metal halide perovskite (MHP) materials have garnered significant interest in the realm of energy conversion and storage amid the push for carbon-neutral energy solutions due to the tunable band gap, high light collection efficiency, high photogenerated carrier mobility, and high defect tolerance.
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Synergic interface passivation with potassium citrate as an eco-friendly conductive adhesive in perovskite solar cells

J. Mater. Chem. A, 2023, Advance Article
DOI: 10.1039/D3TA04273A, Paper
Rui Wu, Lan Xiao, Ziyi Wang, Chang Shi, Shuping Xiao, Wuchen Xiang, Zhongli Qin, Xiangbai Chen, Guojia Fang, Pingli Qin
As a conductive adhesive, C6H5K3O7 could induce a heterogeneous nucleation for high quality perovskite to passivate the defect in SnO2/perovskite interface, achieving the self-encapsulation at the grain boundaries near buried interface.
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Self-doped p–n junctions with high carrier concentration in 2D GaN/MoSSe heterostructures: a first-principles study

J. Mater. Chem. A, 2023, Advance Article
DOI: 10.1039/D3TA04322C, Paper
Dawei Deng, Rutong Si, Bo Wen, Nicola Seriani, Xiao-Lin Wei, Wen-Jin Yin, Ralph Gebauer
A nonvolatile self-doping strategy through fabricating two different 2D polar semiconductors (GaN/MoSSe) into vdW heterostructures could theoretically achieve high concentrations of carriers (>3.48 × 1012).
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Tuning reduction conditions to understand and control Ni exsolution from Sr0.8La0.1Ca0.1Ti0.94Ni0.06O3−δ

J. Mater. Chem. A, 2023, 11,21429-21442
DOI: 10.1039/D3TA04817A, Paper
Open Access Open Access
Willis O'Leary, Livia Giordano, Jennifer L. M. Rupp
Influence of reducing conditions on exsolution of nanoparticles from Sr0.8La0.1Ca0.1Ti0.94Ni0.06O3−δ are established, trends are explained by combining LaMer nucleation theory and DFT calculations.
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Development of tris(amino)phosphonium electrolytes for high performing sodium batteries

J. Mater. Chem. A, 2023, Advance Article
DOI: 10.1039/D3TA03741J, Paper
Ju Sun, Colin S. M. Kang, Gongyue Huang, Federico Maria Ferrero Vallana, Ajit Kumar, Luke A. O'Dell, Montserrat Galceran, Oliver Hutt, Patrick C. Howlett, Maria Forsyth, Jennifer M. Pringle
A unique family of salts utilising the new tris(amino)phosphonium cation [P1(DEA)3]+, paired with [FSI] anions, supports stable Na plating/stripping with a small overpotential and non-dendritic morphology.
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Enhancing the electrostatic potential difference of high entropy perovskite fluorides by ligand modification for promoted dynamic reconstruction

J. Mater. Chem. A, 2023, Advance Article
DOI: 10.1039/D3TA04381A, Paper
Zeyu Hao, Zhengyan Du, Ting Deng, Dong Wang, Yi Zeng, Shansheng Yu, Zeshuo Meng, Xiaoying Hu, Xiufeng Hao, Hongwei Tian
A novel strategy employing ligand engineering for surface modification has been developed to promote rapid surface reconstruction and enhance the kinetics of the oxygen evolution reaction (OER) in high entropy perovskite fluoride.
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