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Updated: Jan 12, 2026

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

Published on: October 12, 2019

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基于数据的Na-Bi化合物的探索:拓热电学的第一原则和机器学习方法

Souraya Goumri-Said1, Houssam Eddine Hailouf2, Khalid Reggab2

  • 1College of Science and General Studies, Department of Physics, Alfaisal University P.O. Box 5092 Riyadh 11533 Saudi Arabia sosaid@alfaisal.edu.

RSC advances
|November 5, 2025
PubMed
概括

我们结合了第一原理计算和机器学习来研究用于热电应用的Na-Bi化合物. 机器学习模型准确地预测了热电性能,Seebeck系数是功率 (ZT) 的关键.

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Thermodynamic Potentials01:26

Thermodynamic Potentials

Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
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