A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS3) and related substitutions

artículo científico publicado en 2017

A novel europium (III) nitridoborate Eu 3 [B 3 N 6 ]: Synthesis, crystal structure, magnetic properties, and Raman spectra

A valence balanced rule for discovery of 18-electron half-Heuslers with defects

Achieving zT > 1 in Inexpensive Zintl Phase Ca9 Zn4+ x Sb9 by Phase Boundary Mapping

An ab initio electronic transport database for inorganic materials

artículo científico publicado en 2017

Apparent critical phenomena in the superionic phase transition of Cu2-xSe

Ca3[BN2]I3: The First Halide-Rich Alkaline Earth Nitridoborate with Isolated [BN2]3-Units

Chapter 11 Chain-Forming A3MPn3and A5M2Pn6Zintl Phases

ChemInform Abstract: BaGe5: A New Type of Intermetallic Clathrate

ChemInform Abstract: BaGe6and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps

ChemInform Abstract: Thermoelectric Enhancement in BaGa2Sb2by Zn Doping

Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

article published in 2015

Correction: Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

scholarly article published in Journal of Materials Chemistry C

Crystal structure and transport properties of Ba8Ge43□3

scientific article published on 14 December 2009

Crystal structure of tetrapotassium diarsenidozincate, K4ZnAs2

Cs4Ge9·en: A Novel Compound with [Ge9]4− Clusters – Synthesis, Crystal Structure and Vibrational Spectra

Cs4Ge9×en: A Novel Compound with [Ge9]4- Clusters — Synthesis, Crystal Structure and Vibrational Spectra

Defect-Controlled Electronic Structure and Phase Stability in Thermoelectric Skutterudite CoSb3

Deformation mechanisms in high-efficiency thermoelectric layered Zintl compounds

Electronic band structure and low-temperature transport properties of the type-I clathrate Ba8NixGe46−x−y□y

artículo científico publicado en 2015

Electronic structure and thermoelectric properties of pnictogen-substituted ASn1.5Te1.5 (A = Co, Rh, Ir) skutterudites

Engineering half-Heusler thermoelectric materials using Zintl chemistry

Enhanced ideal strength of thermoelectric half-Heusler TiNiSn by sub-structure engineering

Enhanced stability and thermoelectric figure-of-merit in copper selenide by lithium doping

Enhanced thermoelectric properties of Sr5In2Sb6via Zn-doping

Enhanced thermoelectric properties of the Zintl phase BaGa2Sb2via doping with Na or K

First-principles calculations and experimental studies of XYZ2 thermoelectric compounds: detailed analysis of van der Waals interactions

Giant enhancement of the figure-of-merit over a broad temperature range in nano-boron incorporated Cu2Se

Grain boundary engineering with nano-scale InSb producing high performance In x Ce y Co 4 Sb 12+z skutterudite thermoelectrics

High Temperature Electronic and Thermal Transport Properties of EuGa2−x In x Sb2

High temperature thermoelectric properties of Zn-doped Eu5In2Sb6

High temperature thermoelectric properties of the type-I clathrate Ba8AuxSi46−x

High temperature thermoelectric properties of the type-I clathrate Ba8NixGe46−x−y□y

artículo científico publicado en 2014

High temperature transport properties of BaZn2Sn2

Ideal Strength and Deformation Mechanism in High-Efficiency Thermoelectric SnSe

Inelastic neutron scattering study of the lattice dynamics in the clathrate compound BaGe₅.

artículo científico publicado en 2015

Isotropic Zero Thermal Expansion and Local Vibrational Dynamics in (Sc,Fe)F3.

artículo científico publicado en 2017

Low-temperature magnetic, galvanomagnetic, and thermoelectric properties of the type-I clathrates Ba8NixSi46−x

scholarly article in Physical Review B, vol. 83 no. 20, May 2011

Low-temperature thermoelectric, galvanomagnetic, and thermodynamic properties of the type-I clathrate Ba8AuxSi46−x

scholarly article in Physical Review B, vol. 84 no. 19, November 2011

Mechanical properties in thermoelectric oxides: Ideal strength, deformation mechanism, and fracture toughness

Mechanical properties of thermoelectric lanthanum telluride from quantum mechanics

scholarly article by Guodong Li et al published 19 June 2017 in Journal of Physics D

Metal phosphides as potential thermoelectric materials

Multiband conduction in the type-I clathrate Ba8Ge43□3

scholarly article in Physical Review B, vol. 84 no. 20, November 2011

Observation of valence band crossing: the thermoelectric properties of CaZn2Sb2–CaMg2Sb2 solid solution

Origins of ultralow thermal conductivity in 1-2-1-4 quaternary selenides

Physical Properties of Single-Crystalline Ba8Ni3.5Ge42.1□0.4

Polycrystalline ZrTe5 Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

Quaternary Pavonites A1+xSn2-xBi5+xS10 (A+ = Li+, Na+): Site Occupancy Disorder Defines Electronic Structure

artículo científico publicado en 2018

Self-Tuning n-Type Bi2(Te,Se)3/SiC Thermoelectric Nanocomposites to Realize High Performances up to 300 °C.

artículo científico publicado en 2017

SnO as a potential oxide thermoelectric candidate

Structure and Failure Mechanism of the Thermoelectric CoSb3/TiCoSb Interface

artículo científico publicado en 2016

Superstrengthening Bi_{2}Te_{3} through Nanotwinning

artículo científico publicado en 2017

Syntheses, crystal structures, magnetic properties and vibrational spectra of nitridoborate-halide compounds Sr2[BN2]Br and Eu2[BN2]X(X= Br, I) with isolated [BN2]3–units

Synthesis of the intermetallic clathrate Na2Ba6Si46by oxidation of Na2BaSi4with HCl

Synthesis, crystal structure and magnetic properties of Li0.44Eu3[B3N6]

Synthesis, crystal structure, and physical properties of the type-I clathrate Ba(8-δ)Ni(x)□(y)Si(46-x-y).

artículo científico publicado en 2012

TEM and SEM Investigation on Oxidised Ge-based Clathrates

The Metallic Zintl Phase Ba3Si4- Synthesis, Crystal Structure, Chemical Bonding, and Physical Properties

Themed issue on the chemistry of thermoelectric materials

Thermoelectric Enhancement in BaGa2Sb2 by Zn Doping

Thermoelectric Properties of the Clathrate I Ba8Ge43□3

Thermoelectric properties and electronic structure of the Zintl phase Sr₅In₂Sb₆ and the Ca(5-x)Sr(x)In₂Sb₆ solid solution

artículo científico publicado en 2014

Thermoelectric properties of the Ca5Al2−xInxSb6solid solution

artículo científico publicado en 2014

Thermoelectric properties of the Zintl phases Yb5M2Sb6 (M = Al, Ga, In).

artículo científico publicado en 2015

Transport properties of the clathrate BaGe5

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

Unique Role of Refractory Ta Alloying in Enhancing the Figure of Merit of NbFeSb Thermoelectric Materials

Vibrational Spectra and Quantum Chemical Calculations of the Pure and Mixed Cluster Anions [SixGe4-x]4- and [GexSn4-x]4- (x = 0-4) in Compounds with Potassium and Cesium

Vibrational Spectra of Cluster Anions. 2. Vibrational Spectra of Compounds with the Cluster Anions [E4]4−: M4E4 (M = K, Rb, Cs; E = Ge, Sn) and β-Na4Sn4

article

YCuTe2: a member of a new class of thermoelectric materials with CuTe4-based layered structure

p-Type Co Interstitial Defects in Thermoelectric Skutterudite CoSb3 Due to the Breakage of Sb4-Rings

α- and β-Na2[BH4][NH2]: Two modifications of a complex hydride in the system NaNH2–NaBH4; syntheses, crystal structures, thermal analyses, mass and vibrational spectra