First-Principles Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phases for Photovoltaics

Wei Geng; Le Zhang; Yan-Ning Zhang; Woon-Ming Lau; Li-Min Liu

doi:10.1021/jp504951h

First-Principles Study of Lead Iodide Perovskite Tetragonal and Orthorhombic Phases for Photovoltaics

The Journal of Physical Chemistry C ◽

10.1021/jp504951h ◽

2014 ◽

Vol 118 (34) ◽

pp. 19565-19571 ◽

Cited By ~ 164

Author(s):

Wei Geng ◽

Le Zhang ◽

Yan-Ning Zhang ◽

Woon-Ming Lau ◽

Li-Min Liu

Keyword(s):

First Principles ◽

Lead Iodide ◽

First Principles Study

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First‐principles study of Aziridinium Lead Iodide Perovskite for Photovoltaics

ChemPhysChem ◽

10.1002/cphc.201801033 ◽

2018 ◽

Cited By ~ 1

Author(s):

Qiang Teng ◽

Tingting Shi ◽

Yu-Jun Zhao

Keyword(s):

First Principles ◽

Lead Iodide ◽

First Principles Study

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Effects of Rb Incorporation and Water Degradation on the Stability of the Cubic Formamidinium Lead Iodide Perovskite Surface: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b01390 ◽

2017 ◽

Vol 121 (23) ◽

pp. 12711-12717 ◽

Cited By ~ 17

Author(s):

Yao Guo ◽

Chengbo Li ◽

Xianchang Li ◽

Yongsheng Niu ◽

Shaogang Hou ◽

...

Keyword(s):

First Principles ◽

Lead Iodide ◽

Water Degradation ◽

First Principles Study ◽

The Stability

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First-principles study on optic-electronic properties of doped formamidinium lead iodide perovskite

Chinese Physics B ◽

10.1088/1674-1056/28/1/017802 ◽

2019 ◽

Vol 28 (1) ◽

pp. 017802 ◽

Cited By ~ 1

Author(s):

Xin-Feng Diao ◽

Yan-Lin Tang ◽

Quan Xie

Keyword(s):

Electronic Properties ◽

First Principles ◽

Lead Iodide ◽

First Principles Study

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First-Principles Study of Molecular Adsorption on Lead Iodide Perovskite Surface: A Case Study of Halogen Bond Passivation for Solar Cell Application

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b07011 ◽

2016 ◽

Vol 120 (41) ◽

pp. 23536-23541 ◽

Cited By ~ 22

Author(s):

Lei Zhang ◽

Xiaogang Liu ◽

Jing Su ◽

Jingfa Li

Keyword(s):

Solar Cell ◽

First Principles ◽

Halogen Bond ◽

Molecular Adsorption ◽

Lead Iodide ◽

Solar Cell Application ◽

First Principles Study

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First-Principles Study of Zinc Phthalocyanine Molecules Adsorbed on Methylammonium Lead Iodide Surfaces

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b10664 ◽

2020 ◽

Vol 124 (9) ◽

pp. 5167-5173

Author(s):

Helin Qin ◽

Li Xu ◽

Dingyong Zhong

Keyword(s):

First Principles ◽

Zinc Phthalocyanine ◽

Lead Iodide ◽

First Principles Study ◽

Methylammonium Lead Iodide

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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