First-Principles Study of Enhanced Out-of-Plane Transport Properties and Stability in Dion–Jacobson Two-Dimensional Perovskite Semiconductors for High-Performance Solar Cell Applications

2019 ◽  
Vol 10 (13) ◽  
pp. 3670-3675 ◽  
Author(s):  
Zhuo Xu ◽  
Ming Chen ◽  
Shengzhong Frank Liu
Keyword(s):  
Solar Cell ◽  
Transport Properties ◽  
First Principles ◽  
High Performance ◽  
Two Dimensional ◽  
First Principles Study ◽  
Out Of Plane

First-Principles Study of Novel Two-Dimensional (C4H9NH3)2PbX4 Perovskites for Solar Cell Absorbers

2017 ◽  
Vol 8 (4) ◽  
pp. 876-883 ◽  
Author(s):  
Da Wang ◽  
Bo Wen ◽  
Ya-Nan Zhu ◽  
Chuan-Jia Tong ◽  
Zhen-Kun Tang ◽  
...  
Keyword(s):  
Solar Cell ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study

2020 ◽  
Vol 533 ◽  
pp. 147513
Author(s):  
Basant Roondhe ◽  
Vaishali Sharma ◽  
Hardik L. Kagdada ◽  
Dheeraj K. Singh ◽  
Tanusri Saha Dasgupta ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Transport Properties ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
Phonon Transport ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Phonon transport properties of two-dimensional electride Ca2N—A first-principles study

2018 ◽  
Vol 113 (13) ◽  
pp. 131902 ◽  
Author(s):  
Matthew C. Barry ◽  
Zhequan Yan ◽  
Mina Yoon ◽  
Surya R. Kalidindi ◽  
Satish Kumar
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Phonon Transport ◽  
Two Dimensional ◽  
First Principles Study

A first-principles study of the thermoelectric properties of rhombohedral GeSe

2020 ◽  
Vol 22 (4) ◽  
pp. 1911-1922
Author(s):  
Kunpeng Yuan ◽  
Zhehao Sun ◽  
Xiaoliang Zhang ◽  
Xiaojing Gong ◽  
Dawei Tang
Keyword(s):  
Transport Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Thermoelectric Transport ◽  
First Principles Study ◽  
Thermoelectric Transport Properties ◽  
P Type

This work offers insights into the thermoelectric transport properties in rhombohedral GeSe by first-principles calculations and demonstrates that both p-type and n-type GeSe are potential high-performance thermoelectric materials.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

Small Polarons in Two-Dimensional Pnictogens: A First-Principles Study

2021 ◽  
pp. 4674-4680
Author(s):  
Vasilii Vasilchenko ◽  
Sergey Levchenko ◽  
Vasili Perebeinos ◽  
Andriy Zhugayevych
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Study ◽  
Small Polarons

scholarly journals Switchable two-dimensional electrides: A first-principles study

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Xuhui Yang ◽  
Kevin Parrish ◽  
Yan-Ling Li ◽  
Baisheng Sa ◽  
Hongbing Zhan ◽  
...  
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
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