Predicting Crystal Morphology Using a Geometric Descriptor: A Comparative Study of Elemental Crystals with High-Throughput DFT Calculations
Predicting Crystal Morphology Using a Geometric Descriptor: A Comparative Study of Elemental Crystals with High-Throughput DFT Calculations
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DOI：
10.1021/acs.jpcc.0c03537
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发表时间：
2020-06
影响因子：
3.7
通讯作者：
Huan Ma;Yueyue Jiao;Wenping Guo;Xingchen Liu;Yong-wang Li;X. Wen
中科院分区：
文献类型：
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作者：
Huan Ma;Yueyue Jiao;Wenping Guo;Xingchen Liu;Yong-wang Li;X. Wen
深入了解表面自由能的化学性质对于实现具有所需形貌和功能（如电子性质）的固体材料的合理设计非常重要。
Deep insights into the chemical nature of surface free energy are important to achieve a rational design of solid materials with desired morphologies and functionalities such as electronic properti...