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Journal Articles

Recent advances in the SISSO method and their implementation in the SISSO++ code

Thomas A. R. Purcell, Matthias Scheffler, Luca M. Ghiringhelli

J. Chem. Phys. 159, 114110 (2023)

https://doi.org/10.1063/5.0156620

Published: September 2023

View article titled, Recent advances in the SISSO method and their implementation in the SISSO++ code

Journal Articles

Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites

Jingying Wang, Baorui Mao, Zeev Valy Vardeny

J. Chem. Phys. 159, 091002 (2023)

https://doi.org/10.1063/5.0160032

Published: September 2023

View article titled, Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites

Journal Articles

Measuring carrier diffusion in MAPbI₃ solar cells with photocurrent-detected transient grating spectroscopy

Zhenyu Ouyang, Zijian Gan, Liang Yan, Wei You, Andrew M. Moran

J. Chem. Phys. 159, 094201 (2023)

https://doi.org/10.1063/5.0159301

Published: September 2023

View article titled, Measuring carrier diffusion in MAPbI3 solar cells with photocurrent-detected transient grating spectroscopy

Includes: Supplementary data

Journal Articles

Oxygen and moisture-induced healing of halide double perovskite surface defects

Bhawna, Aftab Alam, M. Aslam

J. Chem. Phys. 159, 084703 (2023)

https://doi.org/10.1063/5.0154047

Published: August 2023

View article titled, Oxygen and moisture-induced healing of halide double perovskite surface defects

Includes: Supplementary data

Journal Articles

First-principles property assessment of hybrid formate perovskites

Abduljelili Popoola, P. S. Ghosh, Maggie Kingsland, Ravi Kashikar, D. DeTellem, Yixuan Xu, S. Ma, S. Witanachchi, S. Lisenkov, I. Ponomareva

J. Chem. Phys. 159, 074702 (2023)

https://doi.org/10.1063/5.0159526

Published: August 2023

View article titled, First-principles property assessment of hybrid formate perovskites

Includes: Supplementary data

Journal Articles

Pyrovskite: A software package for the high-throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems

Robert Stanton, Dhara J. Trivedi

J. Chem. Phys. 159, 064803 (2023)

https://doi.org/10.1063/5.0159407

Published: August 2023

View article titled, Pyrovskite: A software package for the high-throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems

Includes: Supplementary data

Journal Articles

Size-dependent miscibility controls the kinetics of anion exchange in cesium lead halide nanocrystals

Dongyan Zhang, Xinyi Sarah Wu, Dong Wang, Bryce Sadtler

J. Chem. Phys. 159, 014701 (2023)

https://doi.org/10.1063/5.0149821

Published: July 2023

View article titled, Size-dependent miscibility controls the kinetics of anion exchange in cesium lead halide nanocrystals

Includes: Supplementary data

Journal Articles

Ca²⁺ enhanced far-red emission performance and efficiency of SrGd₂Al₂O₇:Mn⁴⁺ phosphor for the potential application in plant growth lighting

Yi Yu, Kai Shao, Chonghui Niu, Mingjie Dan, Zhibin Wang, Yingying Wang, Jie Chen, Jiani Luo, Shiying Liu, Zhi Xie

J. Chem. Phys. 158, 234703 (2023)

https://doi.org/10.1063/5.0149120

Published: June 2023

View article titled, Ca2+ enhanced far-red emission performance and efficiency of SrGd2Al2O7:Mn4+ phosphor for the potential application in plant growth lighting

Includes: Supplementary data

Journal Articles

Temperature dependence of photoluminescence spectrum of single lead halide perovskite nanocrystals: Effect of size on the phase transition temperature

Kenichi Cho, Takumi Yamada, Masaki Saruyama, Ryota Sato, Toshiharu Teranishi, Yoshihiko Kanemitsu

J. Chem. Phys. 158, 201104 (2023)

https://doi.org/10.1063/5.0143201

Published: May 2023

View article titled, Temperature dependence of photoluminescence spectrum of single lead halide perovskite nanocrystals: Effect of size on the phase transition temperature

Journal Articles

Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning

Jesús Carrete, Hadrián Montes-Campos, Ralf Wanzenböck, Esther Heid, Georg K. H. Madsen

J. Chem. Phys. 158, 204801 (2023)

https://doi.org/10.1063/5.0146905

Published: May 2023

View article titled, Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning

Journal Articles

The surface chemistry of ionic liquid-treated CsPbBr₃ quantum dots

Kyle D. Crans, Matthew Bain, Stephen E. Bradforth, Dan Oron, Miri Kazes, Richard L. Brutchey

J. Chem. Phys. 158, 174709 (2023)

https://doi.org/10.1063/5.0147918

Published: May 2023

View article titled, The surface chemistry of ionic liquid-treated CsPbBr3 quantum dots

Includes: Supplementary data

Journal Articles

Impact of cation modification on phonon-dressed exciton dynamics in a prototype two-dimensional hybrid organic–inorganic perovskite system

Zhoushilin Ruan, Shenlong Jiang, Qun Zhang

J. Chem. Phys. 158, 164706 (2023)

https://doi.org/10.1063/5.0145925

Published: April 2023

View article titled, Impact of cation modification on phonon-dressed exciton dynamics in a prototype two-dimensional hybrid organic–inorganic perovskite system

Includes: Supplementary data

Journal Articles

Observing strongly confined multiexcitons in bulk-like CsPbBr₃ nanocrystals

Dallas P. Strandell, Patanjali Kambhampati

J. Chem. Phys. 158, 154702 (2023)

https://doi.org/10.1063/5.0142113

Published: April 2023

View article titled, Observing strongly confined multiexcitons in bulk-like CsPbBr3 nanocrystals

Includes: Supplementary data

Journal Articles

Photoinduced electron transfer across the polymer-capped CsPbBr₃ interface in a polar medium

Anthony Kipkorir, Xiuyu Jin, Haifeng Gao, Prashant V. Kamat

J. Chem. Phys. 158, 144702 (2023)

https://doi.org/10.1063/5.0143920

Published: April 2023

View article titled, Photoinduced electron transfer across the polymer-capped CsPbBr3 interface in a polar medium

Includes: Supplementary data

Journal Articles

Dual passivation effects of ionic liquids enable efficient and stable perovskite solar cells

Xiaofang Ye, Hongkun Cai, Tie Xu, Jian Ni, Jianjun Zhang

J. Chem. Phys. 158, 134706 (2023)

https://doi.org/10.1063/5.0139669

Published: April 2023

View article titled, Dual passivation effects of ionic liquids enable efficient and stable perovskite solar cells

Includes: Supplementary data

Journal Articles

Thermally driven phase transition of halide perovskites revealed by big data-powered in situ electron microscopy

Xin Luo, Weiyan Liu, Zeyu Wang, Teng Lei, Peidong Yang, Yi Yu

J. Chem. Phys. 158, 134705 (2023)

https://doi.org/10.1063/5.0144196

Published: April 2023

View article titled, Thermally driven phase transition of halide perovskites revealed by big data-powered in situ electron microscopy

Includes: Supplementary data

Journal Articles

2021 JCP Emerging Investigator Special Collection

Michele Ceriotti, Lasse Jensen, David E. Manolopoulos, Todd Martinez, David R. Reichman, Francesco Sciortino, C. David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily A. Weiss, Xiaoyang Zhu, Jenny Stein, Tianquan Lian

Michele Ceriotti, Lasse Jensen, Todd Martinez, David R. Reichman, Francesco Sciortino, C. David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Xiaoyang Zhu

J. Chem. Phys. 158, 060401 (2023)

https://doi.org/10.1063/5.0143234

Published: February 2023

View article titled, 2021 JCP Emerging Investigator Special Collection

Journal Articles

Evidence of defect-induced broadband light emission from 2D Ag–Bi double perovskites grown at liquid–liquid interfaces

Aaron S. Rury, Adedayo M. Sanni, Destiny Konadu, Tyler Danielson

J. Chem. Phys. 158, 011101 (2023)

https://doi.org/10.1063/5.0134568

Published: January 2023

View article titled, Evidence of defect-induced broadband light emission from 2D Ag–Bi double perovskites grown at liquid–liquid interfaces

Includes: Supplementary data

Journal Articles

Nb-doped La_0.6Sr_0.4FeO_3−δ as an electrolyte for intermediate-temperature solid oxide fuel cells

Liwen Zuo, Cong Jiang, Yu Liu, Dan Zheng, Kang Yuan, Hao Wang, Baoyuan Wang

J. Chem. Phys. 157, 224701 (2022)

https://doi.org/10.1063/5.0126865

Published: December 2022

View article titled, Nb-doped La0.6Sr0.4FeO3−δ as an electrolyte for intermediate-temperature solid oxide fuel cells

Journal Articles

Stable α‐FAPbI₃ via porous PbI₂ for efficient perovskite solar cells

Tie Xu, Hongkun Cai, Xiaofang Ye, Yinbin Zhu, Jian Ni, Juan Li, Jianjun Zhang

J. Chem. Phys. 157, 194704 (2022)

https://doi.org/10.1063/5.0122201

Published: November 2022

View article titled, Stable α‐FAPbI3 via porous PbI2 for efficient perovskite solar cells

Includes: Supplementary data

NARROW

Topics

Recent advances in the SISSO method and their implementation in the SISSO++ code

Chirality induced spin selectivity in chiral hybrid organic–inorganic perovskites

Measuring carrier diffusion in MAPbI₃ solar cells with photocurrent-detected transient grating spectroscopy

Oxygen and moisture-induced healing of halide double perovskite surface defects

First-principles property assessment of hybrid formate perovskites

Pyrovskite: A software package for the high-throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems

Size-dependent miscibility controls the kinetics of anion exchange in cesium lead halide nanocrystals

Ca²⁺ enhanced far-red emission performance and efficiency of SrGd₂Al₂O₇:Mn⁴⁺ phosphor for the potential application in plant growth lighting

Temperature dependence of photoluminescence spectrum of single lead halide perovskite nanocrystals: Effect of size on the phase transition temperature

Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning

The surface chemistry of ionic liquid-treated CsPbBr₃ quantum dots

Impact of cation modification on phonon-dressed exciton dynamics in a prototype two-dimensional hybrid organic–inorganic perovskite system

Observing strongly confined multiexcitons in bulk-like CsPbBr₃ nanocrystals

Photoinduced electron transfer across the polymer-capped CsPbBr₃ interface in a polar medium

Dual passivation effects of ionic liquids enable efficient and stable perovskite solar cells

Thermally driven phase transition of halide perovskites revealed by big data-powered in situ electron microscopy

2021 JCP Emerging Investigator Special Collection

Evidence of defect-induced broadband light emission from 2D Ag–Bi double perovskites grown at liquid–liquid interfaces

Nb-doped La_0.6Sr_0.4FeO_3−δ as an electrolyte for intermediate-temperature solid oxide fuel cells

Stable α‐FAPbI₃ via porous PbI₂ for efficient perovskite solar cells

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