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Updated: Jun 3, 2025

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
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Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance

Published on: February 27, 2017

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基于量系复合 (QC) 的机器学习,用于2D混合矿设计.

Chuan-Shen Hu1, Rishikanta Mayengbam2, Kelin Xia1

  • 1Division of Mathematical Sciences, School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore.

Journal of chemical information and modeling
|January 9, 2025
PubMed
概括

这项研究引入了一种新的计算方法,即分数复合 (QC),用于表示二维化物矿. 这种新的方法增强了人工智能驱动的材料发现,用于先进的光伏应用.

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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