Supporting molecular simulations data for "Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells"

Factors influencing halide vacancy transport in perovskite solar cells

Young Won Woo
Young-Kwang Jung
Gee Yeong Kim
Sunghyun Kim
Aron Walsh

September 2022

Python code will generate high grid structures in CsPbX3 (X=Cl, Br, I) and a migration path. It will...

Quantitative Doping of Chlorine in Formamidinium Lead Trihalide (FAPbI(3-x)Cl(x)) for Planar Heterojunction Perovskite Solar Cells

Mu, Cheng
Pan, Jinlong
Feng, Shiqiang
Li, Qi
Xu, Dongsheng

January 2017

National Natural Science Foundation of China [21133001]; Ministry of Science and Technology of Chi...

Perovskite solar cells : simulations and optimization

Zhang Sihan

January 2020

This report is forces on the simulation and optimization of the perovskite solar cell (P...

Supporting molecular simulations data for "Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 perovskite solar cells"

Paramvir Ahlawat
Haizhou Lu
Yuhang Liu
Aditya Mishra
Wolfgang R. Tress
Felix T. Eickemeyer
Yingguo Yang
Fan Fu
Zaiwei Wang
Claudia E. Avalos
Brian I. Carlsen
Anand Agarwalla
Xin Zhang
Xiaoguo Li
Yiqiang Zhan
Shaik M. Zakeeruddin
Lyndon Emsley
Ursula Rothlisberger
Lirong Zheng
Anders Hagfeldt
Michael Grätzel

March 2022

Supplementary data for "Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 per...

Supporting molecular simulations data for "A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics"

Paramvir Ahlawat
Hong Zhang
Kasra Darabi
Narges Yaghoobi Nia
Anurag Krishna
Boyu Guo
Masaud Hassan S. Almalki
Tzu-Sen Su
Dan Ren
Viacheslav Bolnykh
Luigi Castriotta
Mahmoud Zendehdel
Lingfeng Pan
Sandy Sanchez Alonso
Ruipeng Li
Shaik Zakeeruddin
Anders Hagfeldt
Ursula Rothlisberger
Aldo Di Carlo
Aram Amassian
Michael Graetzel

November 2021

Supplementary data for "A universal co-solvent dilution strategy enables facile and cost-effective f...

Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells

Jeong, Jaeki
Kim, Minjin
Seo, Jongdeuk
Lu, Haizhou
Ahlawat, Paramvir
Mishra, Aditya
Yang, Yingguo
Hope, Michael A.
Eickemeyer, Felix T.
Kim, Maengsuk
Yoon, Yung Jin
Choi, In Woo
Darwich, Barbara Primera
Choi, Seung Ju
Jo, Yimhyun
Lee, Jun Hee
Walker, Bright
Zakeeruddin, Shaik M.
Emsley, Lyndon
Rothlisberger, Ursula
Hagfeldt, Anders
Kim, Dong Suk
Grätzel, Michael
Kim, Jin Young

May 2021

Metal halide perovskites of the general formula ABX3—where A is a monovalent cation such as caesium,...

Discovery of Pb-Free Perovskite Solar Cells via High-Throughput Simulation on the K Computer

Takahito Nakajima (1308240)
Keisuke Sawada (1346493)

September 2017

We performed a systematic high-throughput simulation with density functional theory for 11 025 compo...

Research data supporting "Dedoping of Lead Halide Perovskites Incorporating Monovalent Cations"

Abdi Jalebi, Mojtaba
Pazoki, Meysam
Philippe, Bertrand
Dar, M Ibrahim
Alsari, Mejd
Sadhanala, Aditya
Divitini, Giorgio
Imani, Roghayeh
Lilliu, Samuele
Kullgren, Jolla
Rensmo, Håkan
Grätzel, Michael
Friend, Richard

July 2018

Raw data files pertaining to the materials characterization, DFT calculations and solar cell measure...

Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells

Li, Nengxu
Tao, Shuxia
Chen, Yihua
Niu, Xiuxiu
Onwudinanti, Chidozie K.
Hu, Chen
Qiu, Zhiwen
Xu, Ziqi
Zheng, Guanhaojie
Wang, Ligang
Li, Liang
Liu, Huifen
Lun, Yingzhuo
Hong, Jiawang
Wang, Xueyun
Liu, Yuquan
Xie, Haipeng
Gao, Yongli
Bai, Yang
Yang, Shihe
Brocks, Geert
Chen, Qi
Zhou, Huanping

May 2019

Defects play an important role in the degradation processes of hybrid halide perovskite absorbers, i...

Research data supporting "Impact of monovalent cation halide additives on the structural and optoelectronic properties of CH$_{3}$NH$_{3}$PbI$_{3}$ perovskite"

Abdi-Jalebi, Mojtaba
Dar, M. Ibrahim
Sadhanala, Aditya
Senanayak, Satyaprasad P.
Franckevičius, Marius
Arora, Neha
Hu, Yuanyuan
Nazeeruddin, Mohammad Khaja
Zakeeruddin, Shaik M.
Grätzel, Michael
Friend, Richard H.

March 2016

Raw data files pertaining to the PDS, XRD, SCLC and solar cell measurements.This research data suppo...

Halide perovskite solar cells: an investigation of ink additives on perovskite crystallization

Choong, Anthony Li Yan

January 2022

Perovskite solar cells (PSCs) are among the 3rd generation of solar cells which can compete with the...

Atomistic origins of high performance in hybrid halide perovskite solar cels

Jarvist Moore Frost (97464)

April 2014

<p>Data set as complement to paper on "Atomistic origins of high-performance in hybrid halide perovs...

Modeling hybrid halide perovskites for solar cell applications : Simulations of electronic structure and X-ray spectroscopy

Sterling, Cody M.

January 2022

Over the past 13 years, perovskites have become a very promising candidate in the search for cheap a...

Molecular dynamics simulations of nucleation and phase transition in halide perovskites

Ahlawat, Paramvir

April 2022

Perovskite solar cells have emerged as the most promising cheaper photovoltaic technology. Besides s...

Materials discovery of stable and non-toxic halide perovskite materials for high-efficiency solar cells

Ryan Jacobs (5434133)
Guangfu Luo (1942168)
Dane Morgan (3742867)

February 2019

This data file accompanies the publication by Jacobs, R., Luo, G. and Morgan, D. "Materials discover...

Factors influencing halide vacancy transport in perovskite solar cells

Young Won Woo
Young-Kwang Jung
Gee Yeong Kim
Sunghyun Kim
Aron Walsh

September 2022

Python code will generate high grid structures in CsPbX3 (X=Cl, Br, I) and a migration path. It will...

Quantitative Doping of Chlorine in Formamidinium Lead Trihalide (FAPbI(3-x)Cl(x)) for Planar Heterojunction Perovskite Solar Cells

Mu, Cheng
Pan, Jinlong
Feng, Shiqiang
Li, Qi
Xu, Dongsheng

January 2017

National Natural Science Foundation of China [21133001]; Ministry of Science and Technology of Chi...

Perovskite solar cells : simulations and optimization

Zhang Sihan

January 2020

This report is forces on the simulation and optimization of the perovskite solar cell (P...

Supporting molecular simulations data for "Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 perovskite solar cells"

Paramvir Ahlawat
Haizhou Lu
Yuhang Liu
Aditya Mishra
Wolfgang R. Tress
Felix T. Eickemeyer
Yingguo Yang
Fan Fu
Zaiwei Wang
Claudia E. Avalos
Brian I. Carlsen
Anand Agarwalla
Xin Zhang
Xiaoguo Li
Yiqiang Zhan
Shaik M. Zakeeruddin
Lyndon Emsley
Ursula Rothlisberger
Lirong Zheng
Anders Hagfeldt
Michael Grätzel

March 2022

Supplementary data for "Vapor-assisted deposition of highly efficient, stable black-phase FAPbI3 per...

Supporting molecular simulations data for "A universal co-solvent dilution strategy enables facile and cost-effective fabrication of perovskite photovoltaics"

Paramvir Ahlawat
Hong Zhang
Kasra Darabi
Narges Yaghoobi Nia
Anurag Krishna
Boyu Guo
Masaud Hassan S. Almalki
Tzu-Sen Su
Dan Ren
Viacheslav Bolnykh
Luigi Castriotta
Mahmoud Zendehdel
Lingfeng Pan
Sandy Sanchez Alonso
Ruipeng Li
Shaik Zakeeruddin
Anders Hagfeldt
Ursula Rothlisberger
Aldo Di Carlo
Aram Amassian
Michael Graetzel

November 2021

Supplementary data for "A universal co-solvent dilution strategy enables facile and cost-effective f...

Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells

Jeong, Jaeki
Kim, Minjin
Seo, Jongdeuk
Lu, Haizhou
Ahlawat, Paramvir
Mishra, Aditya
Yang, Yingguo
Hope, Michael A.
Eickemeyer, Felix T.
Kim, Maengsuk
Yoon, Yung Jin
Choi, In Woo
Darwich, Barbara Primera
Choi, Seung Ju
Jo, Yimhyun
Lee, Jun Hee
Walker, Bright
Zakeeruddin, Shaik M.
Emsley, Lyndon
Rothlisberger, Ursula
Hagfeldt, Anders
Kim, Dong Suk
Grätzel, Michael
Kim, Jin Young

May 2021

Metal halide perovskites of the general formula ABX3—where A is a monovalent cation such as caesium,...

Discovery of Pb-Free Perovskite Solar Cells via High-Throughput Simulation on the K Computer

Takahito Nakajima (1308240)
Keisuke Sawada (1346493)

September 2017

We performed a systematic high-throughput simulation with density functional theory for 11 025 compo...

Research data supporting "Dedoping of Lead Halide Perovskites Incorporating Monovalent Cations"

Abdi Jalebi, Mojtaba
Pazoki, Meysam
Philippe, Bertrand
Dar, M Ibrahim
Alsari, Mejd
Sadhanala, Aditya
Divitini, Giorgio
Imani, Roghayeh
Lilliu, Samuele
Kullgren, Jolla
Rensmo, Håkan
Grätzel, Michael
Friend, Richard

July 2018

Raw data files pertaining to the materials characterization, DFT calculations and solar cell measure...

Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells

Li, Nengxu
Tao, Shuxia
Chen, Yihua
Niu, Xiuxiu
Onwudinanti, Chidozie K.
Hu, Chen
Qiu, Zhiwen
Xu, Ziqi
Zheng, Guanhaojie
Wang, Ligang
Li, Liang
Liu, Huifen
Lun, Yingzhuo
Hong, Jiawang
Wang, Xueyun
Liu, Yuquan
Xie, Haipeng
Gao, Yongli
Bai, Yang
Yang, Shihe
Brocks, Geert
Chen, Qi
Zhou, Huanping

May 2019

Defects play an important role in the degradation processes of hybrid halide perovskite absorbers, i...

Research data supporting "Impact of monovalent cation halide additives on the structural and optoelectronic properties of CH$_{3}$NH$_{3}$PbI$_{3}$ perovskite"

Abdi-Jalebi, Mojtaba
Dar, M. Ibrahim
Sadhanala, Aditya
Senanayak, Satyaprasad P.
Franckevičius, Marius
Arora, Neha
Hu, Yuanyuan
Nazeeruddin, Mohammad Khaja
Zakeeruddin, Shaik M.
Grätzel, Michael
Friend, Richard H.

March 2016

Raw data files pertaining to the PDS, XRD, SCLC and solar cell measurements.This research data suppo...

Halide perovskite solar cells: an investigation of ink additives on perovskite crystallization

Choong, Anthony Li Yan

January 2022

Perovskite solar cells (PSCs) are among the 3rd generation of solar cells which can compete with the...

Atomistic origins of high performance in hybrid halide perovskite solar cels

Jarvist Moore Frost (97464)

April 2014

<p>Data set as complement to paper on "Atomistic origins of high-performance in hybrid halide perovs...

Modeling hybrid halide perovskites for solar cell applications : Simulations of electronic structure and X-ray spectroscopy

Sterling, Cody M.

January 2022

Over the past 13 years, perovskites have become a very promising candidate in the search for cheap a...

Molecular dynamics simulations of nucleation and phase transition in halide perovskites

Ahlawat, Paramvir

April 2022

Perovskite solar cells have emerged as the most promising cheaper photovoltaic technology. Besides s...

Materials discovery of stable and non-toxic halide perovskite materials for high-efficiency solar cells

Ryan Jacobs (5434133)
Guangfu Luo (1942168)
Dane Morgan (3742867)

February 2019

This data file accompanies the publication by Jacobs, R., Luo, G. and Morgan, D. "Materials discover...

Factors influencing halide vacancy transport in perovskite solar cells

Young Won Woo
Young-Kwang Jung
Gee Yeong Kim
Sunghyun Kim
Aron Walsh

September 2022

Python code will generate high grid structures in CsPbX3 (X=Cl, Br, I) and a migration path. It will...

Quantitative Doping of Chlorine in Formamidinium Lead Trihalide (FAPbI(3-x)Cl(x)) for Planar Heterojunction Perovskite Solar Cells

Mu, Cheng
Pan, Jinlong
Feng, Shiqiang
Li, Qi
Xu, Dongsheng

January 2017

National Natural Science Foundation of China [21133001]; Ministry of Science and Technology of Chi...

Perovskite solar cells : simulations and optimization

Zhang Sihan

January 2020

This report is forces on the simulation and optimization of the perovskite solar cell (P...

Supporting molecular simulations data for "Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells"

Abstract

Extracted data

Supporting molecular simulations data for "Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells"

Abstract

Extracted data

Related items

Related items