Resonance levels in GeTe thermoelectrics: zinc as a new multifaceted dopant

Electronic-structure engineering of GeTe:Zn doping enhances thermoelectric properties via synergy of resonance states, increase in band gap and hyper-convergence.

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Improving the ZT of SnTe using electronic structure engineering: unusual behavior of Bi dopant in the presence of Pb as a co-dopant

Materials Advances ◽

10.1039/d1ma00696g ◽

2021 ◽

Vol 2 (19) ◽

pp. 6267-6271 ◽

Cited By ~ 3

Author(s):

U. Sandhya Shenoy ◽

D. Krishna Bhat

Keyword(s):

Electronic Structure ◽

Synergistic Effect ◽

Band Gap ◽

Resonance Level ◽

Unusual Behavior ◽

Level Increase ◽

Structure Engineering

Extraordinary tuning of electronic structure of SnTe by Bi in the presence of Pb as a co-adjuvant dopant. Synergistic effect of resonance level, increase in the band gap, valence and conduction sub-bands convergence leads to enhanced TE performance.

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Electronic structure engineering of tin telluride through co-doping of bismuth and indium for high performance thermoelectrics: a synergistic effect leading to a record high room temperature ZT in tin telluride

Journal of Materials Chemistry C ◽

10.1039/c9tc01184f ◽

2019 ◽

Vol 7 (16) ◽

pp. 4817-4821 ◽

Cited By ~ 19

Author(s):

U. Sandhya Shenoy ◽

D. Krishna Bhat

Keyword(s):

Electronic Structure ◽

Synergistic Effect ◽

Band Gap ◽

High Performance ◽

Room Temperature ◽

Band Offset ◽

Valence Band Offset ◽

Co Doping ◽

Tin Telluride ◽

Structure Engineering

Resonance states due to Bi and In co-doping, band gap enlargement, and a reduced valence-band offset in SnTe lead to a record high room-temperature ZT.

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Electronic structure and thermoelectric properties of narrow-band-gap intermetallic compound Al2Fe3Si3

Journal of Thermal Analysis and Calorimetry ◽

10.1007/s10973-017-6621-9 ◽

2017 ◽

Vol 131 (1) ◽

pp. 281-287 ◽

Cited By ~ 13

Author(s):

Y. Takagiwa ◽

Y. Isoda ◽

M. Goto ◽

Y. Shinohara

Keyword(s):

Electronic Structure ◽

Intermetallic Compound ◽

Band Gap ◽

Thermoelectric Properties ◽

Narrow Band

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Mg/Ca doping ameliorates the thermoelectric properties of GeTe: Influence of electronic structure engineering

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2020.155989 ◽

2020 ◽

Vol 843 ◽

pp. 155989 ◽

Cited By ~ 2

Author(s):

D. Krishna Bhat ◽

U. Sandhya Shenoy

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

Ca Doping ◽

Structure Engineering

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Electronic Structure and Thermoelectric Properties of AxMo3Sb5Te2

MRS Proceedings ◽

10.1557/proc-793-s6.2 ◽

2003 ◽

Vol 793 ◽

Author(s):

Navid Soheilnia ◽

Holger Kleinke

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Band Structure ◽

Band Gap ◽

Thermoelectric Properties ◽

Gap Size ◽

Formula Unit ◽

Chemically Modified ◽

Thermoelectric Energy ◽

Attractive Candidate

ABSTRACTMo3Sb7 may be chemically modified to become semiconducting by replacing two Sb atoms with two Te atoms (per formula unit). This material may be an attractive candidate for the thermoelectric energy conversion, as its thermal conductivity may be lowered by creating the rattling effect upon intercalation of small cations, and its band structure may be tailored, i.e. the band gap size modified. The higher the Te content and the higher the cation amount, the smaller is the band gap, which can virtually reach any value below 0.5 eV.

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ELECTRONIC-STRUCTURE ENGINEERING OF CARBON NANOTUBES

NANO ◽

10.1142/s1793292006000136 ◽

2006 ◽

Vol 01 (02) ◽

pp. 115-138 ◽

Cited By ~ 47

Author(s):

KAY HYEOK AN ◽

YOUNG HEE LEE

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

Band Gap ◽

Electronic Structures ◽

Analytical Techniques ◽

Band Gap Engineering ◽

Transparent Conducting Films ◽

The Subject ◽

Chirality Separation ◽

Structure Engineering

A review for controlling electronic structures and chirality separation of carbon nanotubes (CNTs) is presented with the subject divided into three topics. The first topic introduces the electronic structures of CNTs and the analytical techniques to identify the chirality of CNTs. The second topic discusses band gap engineering techniques using the sidewall functionalization of CNTs. The third topic concerns several approaches in chiral and diameter-dependent separation of CNTs. The electronic-structure engineering is of critical importance for a variety of technological applications of CNTs including, for example, field-effect transistor, chemical/bio-nanosensors, the electrical conductivity and charge dissipation in polymer/CNT composites, and flexible transparent conducting films. This paper is intended to concisely review the recent advances in the experimental and theoretical CNT researches concerned with the band gap engineering and chiral separation techniques of CNTs.

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Investigation on the electronic structure, optical, elastic, mechanical, thermodynamic and thermoelectric properties of wide band gap semiconductor double perovskite Ba2InTaO6

RSC Advances ◽

10.1039/c9ra00313d ◽

2019 ◽

Vol 9 (17) ◽

pp. 9522-9532 ◽

Cited By ~ 18

Author(s):

Sajad Ahmad Dar ◽

Ramesh Sharma ◽

Vipul Srivastava ◽

Umesh Kumar Sakalle

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Band Gap ◽

Thermoelectric Properties ◽

Density Functional ◽

Double Perovskite ◽

Wide Band ◽

Wide Band Gap ◽

Functional Theory

In the present paper, double perovskite Ba2InTaO6 was investigated in terms of its structural, electronic, optical, elastic, mechanical, thermodynamic and thermoelectric properties using density-functional theory (DFT).

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Enhanced thermoelectric properties of Ga-doped In2O3 ceramics via synergistic band gap engineering and phonon suppression

Physical Chemistry Chemical Physics ◽

10.1039/c5cp00739a ◽

2015 ◽

Vol 17 (17) ◽

pp. 11229-11233 ◽

Cited By ~ 29

Author(s):

Yong Liu ◽

Wei Xu ◽

Da-Bo Liu ◽

Meijuan Yu ◽

Yuan-Hua Lin ◽

...

Keyword(s):

Band Structure ◽

Band Gap ◽

Thermoelectric Properties ◽

Thermoelectric Materials ◽

Band Gap Engineering ◽

Structure Engineering

The performance of Ge doped In2O3 thermoelectric materials is enhanced via band structure engineering and phonon suppression.

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New Insights into the Nature of the Band Gap of CuGeO3 Nanoparticles: Synthesis, Electronic Structure, and Optical and Photocatalytic Properties

10.26434/chemrxiv.8362409.v1 ◽

2019 ◽

Author(s):

Victor Y. Suzuki ◽

Luís Henrique Cardozo Amorin ◽

Natália H. de Paula ◽

Anderson R. Albuquerque ◽

Julio Ricardo Sambrano ◽

...

Keyword(s):

Electronic Structure ◽

Band Gap ◽

Material Design ◽

Photocatalytic Properties ◽

Critical Parameters ◽

Synthetic Approach ◽

Microwave Assisted ◽

Theoretical Approaches ◽

Nanoparticles Synthesis ◽

First Time

We report, for the first time, new insights into the nature of the band gap of <a>CuGeO3 </a>(CGO) nanocrystals synthesized from a microwave-assisted hydrothermal method in the presence of citrate. To the best of our knowledge, this synthetic approach has the shortest reaction time and it works at the lowest temperatures reported in the literature for the preparation of these materials. The influence of the surfactant on the structural, electronic, optical, and photocatalytic properties of CGO nanocrystals is discussed by a combination of experimental and theoretical approaches, and that results elucidates the nature of the band gap of synthetized CGO nanocrystals. We believe that this particular strategy is one of the most critical parameters for the development of innovative applications and that result could shed some light on the emerging material design with entirely new properties.

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