High‐Performance Organic Thermoelectric Materials: Theoretical Insights and Computational Design

Systematic Power Factor Enhancement in n-Type NiETT/PVDF Composite Films

(2018) Akanksha K. Menon et al.   ADVANCED FUNCTIONAL MATERIALS

Thermal Conductivity of Polymers and Their Nanocomposites

(2018) Xiangfan Xu et al.   ADVANCED MATERIALS

3D charge and 2D phonon transports leading to high out-of-planeZTin n-type SnSe crystals

(2018) Cheng Chang et al.   SCIENCE

Crystalline polymer nanofibers with ultra-high strength and thermal conductivity

(2018) Ramesh Shrestha et al.   Nature Communications

Accelerated Screening of Thermoelectric Materials by First-Principles Computations of Electron-Phonon Scattering

(2018) Georgy Samsonidze et al.   Advanced Energy Materials

Orbital-Engineering based Screening of π-Conjugated d8 Transition-Metal Coordination Polymers for High-Performance n-Type Thermoelectric Applications

(2018) Wen Shi et al.   ACS Applied Materials & Interfaces

Simultaneous Enhancement in Electrical Conductivity and Thermopower of n-Type NiETT/PVDF Composite Films by Annealing

(2018) Rylan M. W. Wolfe et al.   ADVANCED FUNCTIONAL MATERIALS

Exploring Peltier effect in organic thermoelectric films

(2018) Wenlong Jin et al.   Nature Communications

Exceptional thermoelectric properties of flexible organic−inorganic hybrids with monodispersed and periodic nanophase

(2018) Liming Wang et al.   Nature Communications

Tuning thermoelectric performance of π-d conjugated nickel coordination polymers through metal−ligand frontier molecular orbital alignment

(2018) Xue Yong et al.   Journal of Materials Chemistry A

High performance thermoelectric materials based on metal organic coordination polymers through first-principles band engineering

(2018) Jahanzeb Khan et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Poly(nickel-ethylenetetrathiolate) and Its Analogs: Theoretical Prediction of High-Performance Doping-Free Thermoelectric Polymers

(2018) Wen Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Band Transport and Trapping in Didodecyl[1]benzothieno[3,2-b][1]benzothiophene Probed by Terahertz Spectroscopy

(2017) Thomas R. Arend et al.   Journal of Physical Chemistry Letters

Modification of the Poly(bisdodecylquaterthiophene) Structure for High and Predominantly Nonionic Conductivity with Matched Dopants

(2017) Hui Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conjugated-Backbone Effect of Organic Small Molecules for n-Type Thermoelectric Materials with ZT over 0.2

(2017) Dazhen Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in thermoelectric materials research: Looking back and moving forward

(2017) Jian He et al.   SCIENCE

Doping optimization of organic-inorganic hybrid perovskite CH 3 NH 3 PbI 3 for high thermoelectric efficiency

(2017) Tianqi Zhao et al.   SYNTHETIC METALS

Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings

(2017) Yuma Nakamura et al.   Advanced Electronic Materials

Morphology controls the thermoelectric power factor of a doped semiconducting polymer

(2017) Shrayesh N. Patel et al.   Science Advances

Ultrahigh mobility and efficient charge injection in monolayer organic thin-film transistors on boron nitride

(2017) Daowei He et al.   Science Advances

High thermal conductivity in electrostatically engineered amorphous polymers

(2017) Apoorv Shanker et al.   Science Advances

Thermoelectric Polymers and their Elastic Aerogels

(2016) Zia Ullah Khan et al.   ADVANCED MATERIALS

Flexible n-Type High-Performance Thermoelectric Thin Films of Poly(nickel-ethylenetetrathiolate) Prepared by an Electrochemical Method

(2016) Yuanhui Sun et al.   ADVANCED MATERIALS

Thermoelectric Properties of Solution-Processed n-Doped Ladder-Type Conducting Polymers

(2016) Suhao Wang et al.   ADVANCED MATERIALS

Unraveling Unprecedented Charge Carrier Mobility through Structure Property Relationship of Four Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophene

(2016) Yusuke Tsutsui et al.   ADVANCED MATERIALS

Bismuth Interfacial Doping of Organic Small Molecules for High Performance n-type Thermoelectric Materials

(2016) Dazhen Huang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thermoelectric plastics: from design to synthesis, processing and structure–property relationships

(2016) Renee Kroon et al.   CHEMICAL SOCIETY REVIEWS

Charge-transport model for conducting polymers

(2016) Stephen Dongmin Kang et al.   NATURE MATERIALS

A review of carrier thermoelectric-transport theory in organic semiconductors

(2016) Nianduan Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Suppressing molecular vibrations in organic semiconductors by inducing strain

(2016) Takayoshi Kubo et al.   Nature Communications

Outstanding Low Temperature Thermoelectric Power Factor from Completely Organic Thin Films Enabled by Multidimensional Conjugated Nanomaterials

(2016) Chungyeon Cho et al.   Advanced Energy Materials

Significantly Enhanced Thermoelectric Properties of PEDOT:PSS Films through Sequential Post-Treatments with Common Acids and Bases

(2016) Zeng Fan et al.   Advanced Energy Materials

Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles

(2016) Tianqi Zhao et al.   Scientific Reports

Organic thermoelectric materials for energy harvesting and temperature control

(2016) Boris Russ et al.   Nature Reviews Materials

Significant Electronic Thermal Transport in the Conducting Polymer Poly(3,4-ethylenedioxythiophene)

(2015) Annie Weathers et al.   ADVANCED MATERIALS

Thermally Driven Large N-Type Voltage Responses from Hybrids of Carbon Nanotubes and Poly(3,4-ethylenedioxythiophene) with Tetrakis(dimethylamino)ethylene

(2015) Hong Wang et al.   ADVANCED MATERIALS

Solution processed organic thermoelectrics: towards flexible thermoelectric modules

(2015) Yani Chen et al.   Energy & Environmental Science

Toward High Performance n-Type Thermoelectric Materials by Rational Modification of BDPPV Backbones

(2015) Ke Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties

(2015) Wen Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermal Conductivity and Elastic Constants of PEDOT:PSS with High Electrical Conductivity

(2015) Jun Liu et al.   MACROMOLECULES

Enhancing the Thermoelectric Figure of Merit by Low-Dimensional Electrical Transport in Phonon-Glass Crystals

(2015) Xue-Ya Mi et al.   NANO LETTERS

Understanding hopping transport and thermoelectric properties of conducting polymers

(2015) S. Ihnatsenka et al.   PHYSICAL REVIEW B

Accurate on-chip measurement of the Seebeck coefficient of high mobility small molecule organic semiconductors

(2015) C. N. Warwick et al.   APL Materials

Computational Evaluation of Optoelectronic Properties for Organic/Carbon Materials

(2014) Zhigang Shuai et al.   ACCOUNTS OF CHEMICAL RESEARCH

Power Factor Enhancement in Solution-Processed Organic n-Type Thermoelectrics Through Molecular Design

(2014) Boris Russ et al.   ADVANCED MATERIALS

Organic Thermoelectric Materials: Emerging Green Energy Materials Converting Heat to Electricity Directly and Efficiently

(2014) Qian Zhang et al.   ADVANCED MATERIALS

Polymer Composites for Thermoelectric Applications

(2014) Brendan T. McGrail et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Search for Organic Thermoelectric Materials with High Mobility: The Case of 2,7-Dialkyl[1]benzothieno[3,2-b][1]benzothiophene Derivatives

(2014) Wen Shi et al.   CHEMISTRY OF MATERIALS

Electron-phonon couplings and carrier mobility in graphynes sheet calculated using the Wannier-interpolation approach

(2014) Jinyang Xi et al.   JOURNAL OF CHEMICAL PHYSICS

Thermoelectricity in Disordered Organic Semiconductors under the Premise of the Gaussian Disorder Model and Its Variants

(2014) Dan Mendels et al.   Journal of Physical Chemistry Letters

Side-Chain Effects on the Conductivity, Morphology, and Thermoelectric Properties of Self-Doped Narrow-Band-Gap Conjugated Polyelectrolytes

(2014) Cheng-Kang Mai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

General Strategy for Self-Assembly of Highly Oriented Nanocrystalline Semiconducting Polymers with High Mobility

(2014) Chan Luo et al.   NANO LETTERS

Single-Crystal Poly(3,4-ethylenedioxythiophene) Nanowires with Ultrahigh Conductivity

(2014) Boram Cho et al.   NANO LETTERS

High thermal conductivity of chain-oriented amorphous polythiophene

(2014) Virendra Singh et al.   Nature Nanotechnology

Ultra-high mobility transparent organic thin film transistors grown by an off-centre spin-coating method

(2014) Yongbo Yuan et al.   Nature Communications

Impact of the Doping Method on Conductivity and Thermopower in Semiconducting Polythiophenes

(2014) Anne M. Glaudell et al.   Advanced Energy Materials

Enhanced thermoelectric performance of PEDOT with different counter-ions optimized by chemical reduction

(2014) M. Culebras et al.   Journal of Materials Chemistry A

Enhanced thermoelectric properties of PEDOT:PSS nanofilms by a chemical dedoping process

(2014) Hongkwan Park et al.   Journal of Materials Chemistry A

Crystalline Polyethylene Nanofibers with the Theoretical Limit of Young's Modulus

(2013) Pengfei Li et al.   ADVANCED MATERIALS

Thermal transport in organic semiconducting polymers

(2013) John C. Duda et al.   APPLIED PHYSICS LETTERS

Flexible PEDOT electrodes with large thermoelectric power factors to generate electricity by the touch of fingertips

(2013) Teahoon Park et al.   Energy & Environmental Science

Towards high-performance polymer-based thermoelectric materials

(2013) Ming He et al.   Energy & Environmental Science

Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction

(2013) Jianming Chen et al.   Journal of Physical Chemistry Letters

Thermal Conductivity of High-Modulus Polymer Fibers

(2013) Xiaojia Wang et al.   MACROMOLECULES

Semi-metallic polymers

(2013) Olga Bubnova et al.   NATURE MATERIALS

Engineered doping of organic semiconductors for enhanced thermoelectric efficiency

(2013) G-H. Kim et al.   NATURE MATERIALS

Anomalous Pressure Effect in Heteroacene Organic Field-Effect Transistors

(2013) K. Sakai et al.   PHYSICAL REVIEW LETTERS

Organic Thermoelectric Materials and Devices Based on p- and n-Type Poly(metal 1,1,2,2-ethenetetrathiolate)s

(2012) Yimeng Sun et al.   ADVANCED MATERIALS

Carrier transport mechanism of poly(3,4-ethylenedioxythiophene) doped with poly(4-styrenesulfonate) films by incorporating ZnO nanoparticles

(2012)   APPLIED PHYSICS LETTERS

Thermoelectric energy from flexible P3HT films doped with a ferric salt of triflimide anions

(2012) Qian Zhang et al.   Energy & Environmental Science

Prospects for polymer-based thermoelectrics: state of the art and theoretical analysis

(2012) Theodore O. Poehler et al.   Energy & Environmental Science

Towards polymer-based organic thermoelectric generators

(2012) Olga Bubnova et al.   Energy & Environmental Science

First-Principles Predictions of Thermoelectric Figure of Merit for Organic Materials: Deformation Potential Approximation

(2012) Jianming Chen et al.   Journal of Chemical Theory and Computation

Tuning the Thermoelectric Properties of Conducting Polymers in an Electrochemical Transistor

(2012) Olga Bubnova et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles prediction of charge mobility in carbon and organic nanomaterials

(2012) Jinyang Xi et al.   Nanoscale

High-performance bulk thermoelectrics with all-scale hierarchical architectures

(2012) Kanishka Biswas et al.   NATURE

Modeling thermoelectric transport in organic materials

(2012) Dong Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electron-Phonon Coupling in Crystalline Organic Semiconductors: Microscopic Evidence for Nonpolaronic Charge Carriers

(2012) Nenad Vukmirović et al.   PHYSICAL REVIEW LETTERS

Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

(2011) Mengqiu Long et al.   ACS Nano

Thienoacene-Based Organic Semiconductors

(2011) Kazuo Takimiya et al.   ADVANCED MATERIALS

Anisotropic Thermal Transport in Organic Molecular Crystals from Nonequilibrium Molecular Dynamics Simulations

(2011) Dong Wang et al.   Journal of Physical Chemistry C

Tuning charge transport in solution-sheared organic semiconductors using lattice strain

(2011) Gaurav Giri et al.   NATURE

Inkjet printing of single-crystal films

(2011) Hiromi Minemawari et al.   NATURE

Optimization of the thermoelectric figure of merit in the conducting polymer poly(3,4-ethylenedioxythiophene)

(2011) Olga Bubnova et al.   NATURE MATERIALS

Intercalant and Intermolecular Phonon Assisted Superconductivity in K-Doped Picene

(2011) Michele Casula et al.   PHYSICAL REVIEW LETTERS

Research progress on polymer–inorganic thermoelectric nanocomposite materials

(2011) Yong Du et al.   PROGRESS IN POLYMER SCIENCE

Solution-Processable Organic Single Crystals with Bandlike Transport in Field-Effect Transistors

(2010) Chuan Liu et al.   ADVANCED MATERIALS

Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First-Principles Level

(2010) Zhigang Shuai et al.   ADVANCED MATERIALS

Improved thermoelectric performance of organic thin-film elements utilizing a bilayer structure of pentacene and 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ)

(2010) Kentaro Harada et al.   APPLIED PHYSICS LETTERS

EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

(2010) Jesse Noffsinger et al.   COMPUTER PHYSICS COMMUNICATIONS

Polyethylene nanofibres with very high thermal conductivities

(2010) Sheng Shen et al.   Nature Nanotechnology

First-principles calculations of electron mobilities in silicon: Phonon and Coulomb scattering

(2009) O. D. Restrepo et al.   APPLIED PHYSICS LETTERS

First-principles investigation of organic semiconductors for thermoelectric applications

(2009) Dong Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Predictions of Size-Dependent Carrier Mobility and Polarity in Graphene

(2009) Meng-Qiu Long et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of acoustic phonon scattering in charge transport in organic semiconductors: a first-principles deformation-potential study

(2009) Ling Tang et al.   Science in China. Series B, Chemistry

Molecular Ordering of High-Performance Soluble Molecular Semiconductors and Re-evaluation of Their Field-Effect Transistor Characteristics

(2008) Takafumi Izawa et al.   ADVANCED MATERIALS

Electronic Evolution of Poly(3,4-ethylenedioxythiophene) (PEDOT): From the Isolated Chain to the Pristine and Heavily Doped Crystals

(2008) Eung-Gun Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Field-effect-modulated Seebeck coefficient in organic semiconductors

(2008) K. P. Pernstich et al.   NATURE MATERIALS

Complex thermoelectric materials

(2008) G. Jeffrey Snyder et al.   NATURE MATERIALS

Direct Evidence for Delocalization of Charge Carriers at the Fermi Level in a Doped Conducting Polymer

(2008) Jing-Mei Zhuo et al.   PHYSICAL REVIEW LETTERS

High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys

(2008) B. Poudel et al.   SCIENCE

Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems

(2008) Lon E. Bell   SCIENCE