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High Thermoelectric Performance of p‑Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach

Journal of the American Chemical Society, 2014-05, Vol.136 (19), p.7006-7017

2014

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Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe

Energy & environmental science, 2015-01, Vol.8 (1), p.267-277

2015

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Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping

Journal of the American Chemical Society, 2014-08, Vol.136 (32), p.11412-11419

2014

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The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

npj computational materials, 2015-12, Vol.1 (1), p.15010-15010, Article 15010

2015

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Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach

Journal of computational chemistry, 2018-02, Vol.39 (4), p.191-202

2018

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High ZT in p‑Type (PbTe)1–2x (PbSe) x (PbS) x Thermoelectric Materials

Journal of the American Chemical Society, 2014-02, Vol.136 (8), p.3225-3237

2014

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Coherent and incoherent phase stabilities of thermoelectric rocksalt IV-VI semiconductor alloys

Physical review. B, Condensed matter and materials physics, 2012-10, Vol.86 (14), Article 144202

2012

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Role of Sodium Doping in Lead Chalcogenide Thermoelectrics

Journal of the American Chemical Society, 2013-03, Vol.135 (12), p.4624-4627

2013

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Ab initio study of intrinsic point defects in PbTe: an insight into phase stability

Acta materialia, 2015-06, Vol.92 (C), p.72-80

2015

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Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS

Journal of materials chemistry. C, Materials for optical and electronic devices, 2015-01, Vol.3 (4), p.163-1649

2015

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Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method

Physical review. B, 2017-06, Vol.95 (21), p.214115, Article 214115

2017

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Using First-Principles Calculations in CALPHAD Models to Determine Carrier Concentration of the Binary PbSe Semiconductor

Journal of electronic materials, 2019-02, Vol.48 (2), p.1031-1043

2019

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Thermodynamic modeling of the PbX (X=S,Te) phase diagram using a five sub-lattice and two sub-lattice model

Calphad, 2017-09, Vol.58, p.17-24

2017

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Calculation of dopant solubilities and phase diagrams of X-Pb-Se (X = Br, Na) limited to defects with localized charge

Journal of materials chemistry. C, Materials for optical and electronic devices, 2016-01, Vol.4 (9), p.1769-1775

2016

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Stability and equation of state of post-aragonite BaCO3

Physics and chemistry of minerals, 2013-05, Vol.40 (5), p.447-453

2013

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Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach

Journal of computational chemistry, 2017-09, Vol.39 (4)

2017

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Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach

Journal of computational chemistry, 2017-09, Vol.39 (4)

2017

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Computational prediction of nanostructured alloys with enhanced thermoelectric properties

Physical review materials, 2019-10, Vol.3 (10), Article 105404

2019

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Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method

Physical review. B, 2017-06, Vol.95 (21)

2017

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Ab initio study of intrinsic point defects in PbTe: an insight into phase stability

Acta materialia, 2015-04, Vol.92

2015

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Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe

Energy & environmental science, 2015-01, Vol.8 (1)

2015

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Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTeElectronic supplementary information (ESI) available: Room temperature densities for all the samples investigated in this study (Table S1); powder XRD pattern of as-synthesized HgTe (Fig. S1); thermal diffusivity, heat capacity, and Lorenz number for Sn0.98Bi0.02Te-x%HgTe/CdTe samples (Fig. S2); powder XRD pattern of Sn0.98Bi0.02Te-x%CdTe (Fig. S3); temperature dependent thermoelectric transport properties for Sn0

2014-12

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Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi 2 Te 3 Doping

Journal of the American Chemical Society, 2014-08, Vol.136 (32), p.11412-11419

2014

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High ZT in p-Type (PbTe) 1–2 x (PbSe) x (PbS) x Thermoelectric Materials

Journal of the American Chemical Society, 2014-02, Vol.136 (8), p.3225-3237

2014

Volltextzugriff (PDF)

High ZT in p-Type (PbTe) 1–2x (PbSe) x (PbS) x Thermoelectric Materials

Journal of the American Chemical Society, 2014-02, Vol.136 (8)

2014

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High Thermoelectric Performance of p‑Type SnTe via a Synergistic Band Engineering and Nanostructuring Approach

Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe

Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi2Te3 Doping

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach

High ZT in p‑Type (PbTe)1–2x (PbSe) x (PbS) x Thermoelectric Materials

Coherent and incoherent phase stabilities of thermoelectric rocksalt IV-VI semiconductor alloys

Role of Sodium Doping in Lead Chalcogenide Thermoelectrics

Ab initio study of intrinsic point defects in PbTe: an insight into phase stability

Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS

Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method

Using First-Principles Calculations in CALPHAD Models to Determine Carrier Concentration of the Binary PbSe Semiconductor

Thermodynamic modeling of the PbX (X=S,Te) phase diagram using a five sub-lattice and two sub-lattice model

Calculation of dopant solubilities and phase diagrams of X-Pb-Se (X = Br, Na) limited to defects with localized charge

Stability and equation of state of post-aragonite BaCO3

Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach

Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach

Computational prediction of nanostructured alloys with enhanced thermoelectric properties

Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method

Ab initio study of intrinsic point defects in PbTe: an insight into phase stability

Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe

Origin of the High Performance in GeTe-Based Thermoelectric Materials upon Bi 2 Te 3 Doping

High ZT in p-Type (PbTe) 1–2 x (PbSe) x (PbS) x Thermoelectric Materials

High ZT in p-Type (PbTe) 1–2x (PbSe) x (PbS) x Thermoelectric Materials

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