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Related Concept Videos

Temperature Dependent Deformation01:12

Temperature Dependent Deformation

138
In a nonhomogeneous rod made up of steel and brass, restrained at both ends and subjected to a temperature change, several steps are involved in calculating the stress and compressive load. Due to the problem's static indeterminacy, one end support is disconnected, allowing the rod to experience the temperature change freely. Next, an unknown force is applied at the free end, triggering deformations in the rod's steel and brass portions. These deformations are then calculated and added...
138
Thermal Sigmatropic Reactions: Overview01:16

Thermal Sigmatropic Reactions: Overview

2.0K
Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
2.0K
Van der Waals Equation01:10

Van der Waals Equation

3.9K
The ideal gas law is an approximation that works well at high temperatures and low pressures. The van der Waals equation of state (named after the Dutch physicist Johannes van der Waals, 1837−1923) improves it by considering two factors.
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the volume...
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Related Experiment Video

Updated: May 27, 2025

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics
04:09

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics

Published on: August 30, 2024

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Highly Deformable Van der Waals Chalcogenides with Superior Thermoelectric Performance from Interpretable Machine

Qi Ren1, Bonan Zhu1, Gang Tang2

  • 1School of Aerospace Engineering, Beijing Institute of Technology, Beijing, 100081, China.

Small (Weinheim an Der Bergstrasse, Germany)
|February 19, 2025
PubMed
Summary

Researchers screened over 1000 van der Waals (vdW) chalcogenides for flexible thermoelectric devices. NbSe2Br2 showed excellent performance, offering a promising new material for wearable electronics.

Keywords:
chalcogenidesflexible thermoelectricinorganic semiconductormachine learningvan der Waals materials

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Flexible thermoelectric devices are crucial for wearable electronics.
  • Finding materials with both high flexibility and thermoelectric efficiency (ZT) is challenging.
  • A high-throughput screening method is needed to identify suitable van der Waals (vdW) chalcogenides.

Purpose of the Study:

  • To develop and apply a high-throughput screening method for vdW chalcogenides.
  • To identify flexible vdW chalcogenides with superior thermoelectric properties.
  • To discover novel materials for advanced flexible thermoelectric devices.

Main Methods:

  • Screened over 1000 vdW chalcogenides using a high-throughput computational approach.
  • Evaluated material flexibility using a previously established deformability factor.
  • Predicted thermoelectric figure of merit (ZT) values using a machine learning model.
  • Conducted first-principles calculations for promising candidate materials.

Main Results:

  • Identified several vdW chalcogenide candidates exhibiting both high deformability and favorable ZT values.
  • NbSe2Br2 was identified as a top-performing material, achieving a maximum ZT of 1.35 at 1000 K.
  • NbSe2Br2 demonstrated a power factor of 8.1 µW cm⁻¹K⁻² at 300 K, outperforming many existing flexible thermoelectric materials.
  • Attributed high ZTmax to low thermal conductivity and high Seebeck coefficient in the out-of-plane direction.

Conclusions:

  • The study successfully identified promising vdW chalcogenides for flexible thermoelectric applications.
  • NbSe2Br2 represents a significant advancement in flexible inorganic thermoelectric materials.
  • The findings provide new material options for developing next-generation wearable electronic devices.