Chemical intuition for high thermoelectric performance in monolayer black phosphorus, α-arsenene and aW-antimonene

Excellent Thermoelectric Performance Predicted in Two-Dimensional Buckled Antimonene: A First-Principles Study

(2017) Kai-Xuan Chen et al.   Journal of Physical Chemistry C

Structural Complexity and Phonon Physics in 2D Arsenenes

(2017) Jesús Carrete et al.   Journal of Physical Chemistry Letters

The conflicting role of buckled structure in phonon transport of 2D group-IV and group-V materials

(2017) Bo Peng et al.   Nanoscale

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

(2017) Alireza Faghaninia et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2D Black Phosphorus for Energy Storage and Thermoelectric Applications

(2017) Yu Zhang et al.   Small

Thermal conductivities of phosphorene allotropes from first-principles calculations: a comparative study

(2017) J. Zhang et al.   Scientific Reports

First-Principles Prediction of Ultralow Lattice Thermal Conductivity of Dumbbell Silicene: A Comparison with Low-Buckled Silicene

(2016) Bo Peng et al.   ACS Applied Materials & Interfaces

Epitaxial Growth and Air-Stability of Monolayer Antimonene on PdTe2

(2016) Xu Wu et al.   ADVANCED MATERIALS

Temperature Dependence of Anisotropic Thermal-Conductivity Tensor of Bulk Black Phosphorus

(2016) Bo Sun et al.   ADVANCED MATERIALS

Mechanical Isolation of Highly Stable Antimonene under Ambient Conditions

(2016) Pablo Ares et al.   ADVANCED MATERIALS

Concerted Rattling in CsAg5 Te3 Leading to Ultralow Thermal Conductivity and High Thermoelectric Performance

(2016) Hua Lin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thinking Like a Chemist: Intuition in Thermoelectric Materials

(2016) Wolfgang G. Zeier et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Towards intrinsic phonon transport in single-layer MoS2

(2016) Bo Peng et al.   ANNALEN DER PHYSIK

Rationally Designing High-Performance Bulk Thermoelectric Materials

(2016) Gangjian Tan et al.   CHEMICAL REVIEWS

Thermoelectric Performance of the MXenes M2CO2 (M = Ti, Zr, or Hf)

(2016) Appala Naidu Gandi et al.   CHEMISTRY OF MATERIALS

First-principles study on the elastic properties of Cu2GeSe3

(2016) Hezhu Shao et al.   EPL

First-Principles Prediction of the Electronic Structure and Carrier Mobility in Hexagonal Boron Phosphide Sheet and Nanoribbons

(2016) Bowen Zeng et al.   Journal of Physical Chemistry C

Beyond Perturbation: Role of Vacancy-Induced Localized Phonon States in Thermal Transport of Monolayer MoS2

(2016) Bo Peng et al.   Journal of Physical Chemistry C

Electronic Structures and Carrier Mobilities of Blue Phosphorus Nanoribbons and Nanotubes: A First-Principles Study

(2016) Jin Xiao et al.   Journal of Physical Chemistry C

The thermal properties and thermoelectric performance ofγ-graphyne nanoribbons

(2016) Zhi Yang et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Defect Chemistry for Thermoelectric Materials

(2016) Zhou Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Epitaxial Growth of Single Layer Blue Phosphorus: A New Phase of Two-Dimensional Phosphorus

(2016) Jia Lin Zhang et al.   NANO LETTERS

Hydrogenation of Penta-Graphene Leads to Unexpected Large Improvement in Thermal Conductivity

(2016) Xufei Wu et al.   NANO LETTERS

Experimental realization of two-dimensional boron sheets

(2016) Baojie Feng et al.   Nature Chemistry

Ultralow Thermal Conductivity in Full Heusler Semiconductors

(2016) Jiangang He et al.   PHYSICAL REVIEW LETTERS

Two-dimensional antimonene single crystals grown by van der Waals epitaxy

(2016) Jianping Ji et al.   Nature Communications

Predicting high thermoelectric performance of ABX ternary compounds NaMgX (X = P, Sb, As) with weak electron–phonon coupling and strong bonding anharmonicity

(2016) A. J. Hong et al.   Journal of Materials Chemistry C

High thermoelectric performance can be achieved in black phosphorus

(2016) J. Zhang et al.   Journal of Materials Chemistry C

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

(2016) Wei Chen et al.   Journal of Materials Chemistry C

Revealing the Origins of 3D Anisotropic Thermal Conductivities of Black Phosphorus

(2016) Jie Zhu et al.   Advanced Electronic Materials

Physically founded phonon dispersions of few-layer materials and the case of borophene

(2016) Jesús Carrete et al.   Materials Research Letters

On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

(2016) Jiong Yang et al.   npj Computational Materials

Atomically Thin Group V Elemental Films: Theoretical Investigations of Antimonene Allotropes

(2015) Gaoxue Wang et al.   ACS Applied Materials & Interfaces

Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials

(2015) Michael N. Blonsky et al.   ACS Nano

From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely

(2015) Wei Lai et al.   ADVANCED FUNCTIONAL MATERIALS

Anisotropic Thermal Conductivity of Exfoliated Black Phosphorus

(2015) Hyejin Jang et al.   ADVANCED MATERIALS

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Manifestation of unexpected semiconducting properties in few-layer orthorhombic arsenene

(2015) Zhiya Zhang et al.   Applied Physics Express

Thermoelectric power of bulk black-phosphorus

(2015) E. Flores et al.   APPLIED PHYSICS LETTERS

Enhancement of thermoelectric performance in β-graphyne nanoribbons by suppressing phononic thermal conductance

(2015) Wu-Xing Zhou et al.   CARBON

High Thermoelectric Performance SnTe–In2Te3 Solid Solutions Enabled by Resonant Levels and Strong Vacancy Phonon Scattering

(2015) Gangjian Tan et al.   CHEMISTRY OF MATERIALS

Thermoelectric Response of Bulk and Monolayer MoSe2 and WSe2

(2015) S. Kumar et al.   CHEMISTRY OF MATERIALS

First-Principles Prediction of the Charge Mobility in Black Phosphorus Semiconductor Nanoribbons

(2015) Jin Xiao et al.   Journal of Physical Chemistry Letters

Phosphorene: Fabrication, Properties, and Applications

(2015) Liangzhi Kou et al.   Journal of Physical Chemistry Letters

Black Phosphorus: Narrow Gap, Wide Applications

(2015) Andres Castellanos-Gomez   Journal of Physical Chemistry Letters

Codoping in SnTe: Enhancement of Thermoelectric Performance through Synergy of Resonance Levels and Band Convergence

(2015) Gangjian Tan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermoelectric power factor: Enhancement mechanisms and strategies for higher performance thermoelectric materials

(2015) Arash Mehdizadeh Dehkordi et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Structural Transition in Layered As1–xPx Compounds: A Computational Study

(2015) Zhen Zhu et al.   NANO LETTERS

Thermoelectric properties of single-layered SnSe sheet

(2015) Fancy Qian Wang et al.   Nanoscale

The anharmonicity blacksmith

(2015) Joseph P. Heremans   Nature Physics

Orbitally driven giant phonon anharmonicity in SnSe

(2015) C. W. Li et al.   Nature Physics

High thermoelectric performance in two-dimensional graphyne sheets predicted by first-principles calculations

(2015) Xiaojian Tan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles

(2015) Guangzhao Qin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Prediction of a two-dimensional crystalline structure of nitrogen atoms

(2015) V. Ongun Özçelik et al.   PHYSICAL REVIEW B

Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach

(2015) Yierpan Aierken et al.   PHYSICAL REVIEW B

Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems

(2015) C. Kamal et al.   PHYSICAL REVIEW B

Single-layer crystalline phases of antimony: Antimonenes

(2015) O. Üzengi Aktürk et al.   PHYSICAL REVIEW B

The renaissance of black phosphorus

(2015) Xi Ling et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

(2015) A. J. Mannix et al.   SCIENCE

Dense dislocation arrays embedded in grain boundaries for high-performance bulk thermoelectrics

(2015) S. I. Kim et al.   SCIENCE

Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe

(2015) L.-D. Zhao et al.   SCIENCE

Anisotropic in-plane thermal conductivity observed in few-layer black phosphorus

(2015) Zhe Luo et al.   Nature Communications

Theoretical predictions on the electronic structure and charge carrier mobility in 2D Phosphorus sheets

(2015) Jin Xiao et al.   Scientific Reports

Strategies for engineering phonon transport in thermoelectrics

(2015) Woochul Kim   Journal of Materials Chemistry C

Recent developments in black phosphorus transistors

(2015) Haiwei Du et al.   Journal of Materials Chemistry C

Characterization of Lorenz number with Seebeck coefficient measurement

(2015) Hyun-Sik Kim et al.   APL Materials

Strongly anisotropic in-plane thermal transport in single-layer black phosphorene

(2015) Ankit Jain et al.   Scientific Reports

Electronic, phononic, and thermoelectric properties of graphyne sheets

(2014) Hâldun Sevinçli et al.   APPLIED PHYSICS LETTERS

Production of few-layer phosphorene by liquid exfoliation of black phosphorus

(2014) Jack R. Brent et al.   CHEMICAL COMMUNICATIONS

ShengBTE: A solver of the Boltzmann transport equation for phonons

(2014) Wu Li et al.   COMPUTER PHYSICS COMMUNICATIONS

Strong Thermal Transport Anisotropy and Strain Modulation in Single-Layer Phosphorene

(2014) Zhun-Yong Ong et al.   Journal of Physical Chemistry C

High Thermoelectric Performance Realized in a BiCuSeO System by Improving Carrier Mobility through 3D Modulation Doping

(2014) Yan-Ling Pei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene

(2014) Ruixiang Fei et al.   NANO LETTERS

Strain-Engineering the Anisotropic Electrical Conductance of Few-Layer Black Phosphorus

(2014) Ruixiang Fei et al.   NANO LETTERS

Effect of strain on electronic and thermoelectric properties of few layers to bulk MoS2

(2014) Swastibrata Bhattacharyya et al.   NANOTECHNOLOGY

Thermal transport and thermoelectric properties of beta-graphyne nanostructures

(2014) Tao Ouyang et al.   NANOTECHNOLOGY

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals

(2014) Li-Dong Zhao et al.   NATURE

Black phosphorus field-effect transistors

(2014) Likai Li et al.   Nature Nanotechnology

Coexistence of size-dependent and size-independent thermal conductivities in phosphorene

(2014) Liyan Zhu et al.   PHYSICAL REVIEW B

Enhanced thermoelectric performance of phosphorene by strain-induced band convergence

(2014) H. Y. Lv et al.   PHYSICAL REVIEW B

Semiconducting Layered Blue Phosphorus: A Computational Study

(2014) Zhen Zhu et al.   PHYSICAL REVIEW LETTERS

Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

(2014) Fei Zhou et al.   PHYSICAL REVIEW LETTERS

Intrinsic carrier mobility of germanene is larger than graphene's: first-principle calculations

(2014) Xue-Sheng Ye et al.   RSC Advances

Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance

(2014) Guangzhao Qin et al.   Scientific Reports

Isolation and characterization of few-layer black phosphorus

(2014) Andres Castellanos-Gomez et al.   2D Materials

Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles

(2013) Wu Li et al.   APPLIED PHYSICS LETTERS

Thermoelectric properties of gamma-graphyne nanoribbons and nanojunctions

(2013) Tao Ouyang et al.   JOURNAL OF APPLIED PHYSICS

High pressure effect on structure, electronic structure, and thermoelectric properties of MoS2

(2013) Huaihong Guo et al.   JOURNAL OF APPLIED PHYSICS

First-principles calculation of intrinsic carrier mobility of silicene

(2013) Zhi-Gang Shao et al.   JOURNAL OF APPLIED PHYSICS

On the thermoelectric transport properties of graphyne by the first-principles method

(2013) Xiao-Ming Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Thermoelectric Transport in Graphyne Nanotubes

(2013) Xiao-Ming Wang et al.   Journal of Physical Chemistry C

High-Performance Tellurium-Free Thermoelectrics: All-Scale Hierarchical Structuring of p-Type PbSe–MSe Systems (M = Ca, Sr, Ba)

(2013) Yeseul Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High thermoelectric performance of oxyselenides: intrinsically low thermal conductivity of Ca-doped BiCuSeO

(2013) Yan-Ling Pei et al.   NPG Asia Materials

Band Engineering of Thermoelectric Materials

(2012) Yanzhong Pei et al.   ADVANCED MATERIALS

Raising the Thermoelectric Performance of p-Type PbS with Endotaxial Nanostructuring and Valence-Band Offset Engineering Using CdS and ZnS

(2012) Li-Dong Zhao 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

Thermal conductivity of diamond nanowires from first principles

(2012) Wu Li et al.   PHYSICAL REVIEW B

First-principles description of anomalously low lattice thermal conductivity in thermoelectric Cu-Sb-Se ternary semiconductors

(2012) Yongsheng Zhang et al.   PHYSICAL REVIEW B

Thermal conductivity of bulk and nanowire Mg2SixSn1−xalloys from first principles

(2012) Wu Li et al.   PHYSICAL REVIEW B

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

(2011) Mengqiu Long et al.   ACS Nano

High Performance Thermoelectrics from Earth-Abundant Materials: Enhanced Figure of Merit in PbS by Second Phase Nanostructures

(2011) Li-Dong Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tunable Bandgap in Silicene and Germanene

(2011) Zeyuan Ni et al.   NANO LETTERS

Role of Lone-Pair Electrons in Producing Minimum Thermal Conductivity in Nitrogen-Group Chalcogenide Compounds

(2011) Eric J. Skoug et al.   PHYSICAL REVIEW LETTERS

Flexural phonons and thermal transport in graphene

(2010) L. Lindsay et al.   PHYSICAL REVIEW B

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

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

Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations

(2009) H. Şahin et al.   PHYSICAL REVIEW B

Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties

(2008) Jiong Yang et al.   ADVANCED FUNCTIONAL MATERIALS

Superior Thermal Conductivity of Single-Layer Graphene

(2008) Alexander A. Balandin et al.   NANO LETTERS