CALPHAD as a powerful technique for design and fabrication of thermoelectric materials

Abstract

Phase diagram has always been used as a roadmap for materials research in terms of melting, casting, crystal growth, joining, solid-state reaction, heat treatment, phase transformation, and so on. CALPHAD...

Shapes of phases in isothermal phase diagrams: what is wrong with the Thermo-Calc logo

“…The so-called ''endmembers'' are defined as the compounds (possibly hypothetical) formed when only a single species occupies each sublattice. 37,39 For example G ABC A:B:C represents the Gibbs energy for the 'endmember' in the ''ABC'' phase with A on the first, B on the second, and C on the third sublattice. In all 27 end members need to be defined where only one, (A)(B)(C), contains no defect and the other 26 end-members contain single, double, and triple substitutional defects.…”

Potential of Recycled Silicon and Silicon-Based Thermoelectrics for Power Generation

“…To date, the majority of high-performing thermoelectric materials are chalcogenides, such as SnSe-, GeTe-, PbTe-, PbSe-, and Bi 2 Te 3 -based materials [56][57][58][59][60][61][62][63][64][65][66][67][68][69][70][71][72][73][74][75]. In addition, efforts using both theoretical and experimental and even machine learning approaches are continued to be spent on discovering and improving materials performances [66,[76][77][78][79][80][81][82][83][84][85][86][87][88][89][90][91][92].…”

High out-of-plane negative Poisson's ratios and strong light harvesting in two-dimensional SiS2 and its derivatives

“…[14][15][16][17] Benefiting from the rapid advancement in the semiconductor industry, an increasing array of 2D materials with NPR have been proposed, including GeSe 2 , 18 tinselenidene, 19 Ag 2 S, 20 Pd-decorated borophene 21 and so on. [22][23][24][25][26][27][28][29][30][31][32][33][34][35] These reported 2D NPR materials can be broadly categorized into four distinct groups with inplane, 18,24,[26][27][28][29][30][31][33][34][35] out-of-plane, 19,25,32 both in-and out-ofplane, 20,23,36 and half auxetic properties. 21 Despite the tremendous potential of two-dimensional materials with NPR across diverse fields, the existing repertoire of materials displaying auxetic behavior remains relatively limited, and those exhibiting both in-and out-of-plane directional auxetic phenomena are even rarer.…”