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Journal Articles

Computational quantum chemistry of metal–organic frameworks

Indrani Choudhuri, Jingyun Ye, Donald G. Truhlar
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 4, 031304 (2023)
https://doi.org/10.1063/5.0153656
Published: August 2023
View article titled, Computational quantum chemistry of metal–organic frameworks
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Journal Articles

Ion transport phenomena in electrode materials

Jing Wen, Xinzhi Ma, Lu Li, Xitian Zhang, Bin Wang
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 4, 021302 (2023)
https://doi.org/10.1063/5.0138282
Published: April 2023
View article titled, Ion transport phenomena in electrode materials
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Journal Articles

Recent progress in the theory of bulk photovoltaic effect

Zhenbang Dai, Andrew M. Rappe
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 4, 011303 (2023)
https://doi.org/10.1063/5.0101513
Published: January 2023
View article titled, Recent progress in the theory of bulk photovoltaic effect
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Journal Articles

Charge transport in doped conjugated polymers for organic thermoelectrics

Dorothea Scheunemann, Emmy Järsvall, Jian Liu, Davide Beretta, Simone Fabiano, Mario Caironi, Martijn Kemerink, Christian Müller
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 3, 021309 (2022)
https://doi.org/10.1063/5.0080820
Published: June 2022
View article titled, Charge transport in doped conjugated polymers for organic thermoelectrics
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Journal Articles

Methane storage in flexible and dynamical metal–organic frameworks

Katherine A. Forrest, Gaurav Verma, Yingxiang Ye, Junyu Ren, Shengqian Ma, Tony Pham, Brian Space
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 3, 021308 (2022)
https://doi.org/10.1063/5.0072805
Published: May 2022
View article titled, Methane storage in flexible and dynamical metal–organic frameworks
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Journal Articles

Coordination polymers for emerging molecular devices

G. H. Morritt, H. Michaels, M. Freitag
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 3, 011306 (2022)
https://doi.org/10.1063/5.0075283
Published: February 2022
View article titled, Coordination polymers for emerging molecular devices
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Journal Articles

Multiscale and hierarchical reaction mechanism in a lithium-ion battery

Yuki Orikasa, Kentaro Yamamoto, Takeshi Shimizu, Yoshiharu Uchimoto
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 3, 011305 (2022)
https://doi.org/10.1063/5.0062329
Published: February 2022
View article titled, Multiscale and hierarchical reaction mechanism in a lithium-ion battery
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Journal Articles

Fundamentals of metal oxide/oxyfluoride electrodes for Li-/Na-ion batteries

Benoît Denis Louis Campéon, Naoaki Yabuuchi
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 2, 041306 (2021)
https://doi.org/10.1063/5.0052741
Published: November 2021
View article titled, Fundamentals of metal oxide/oxyfluoride electrodes for Li-/Na-ion batteries
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Journal Articles

Molecular library of OLED host materials—Evaluating the multiscale simulation workflow

Anirban Mondal, Leanne Paterson, Jaeyoung Cho, Kun-Han Lin, Bas van der Zee, Gert-Jan A. H. Wetzelaer, Andrei Stankevych, Alexander Vakhnin, Jang-Joo Kim, Andrey Kadashchuk, Paul W. M. Blom, Falk May, Denis Andrienko
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 2, 031304 (2021)
https://doi.org/10.1063/5.0049513
Published: July 2021
View article titled, Molecular library of OLED host materials—Evaluating the multiscale simulation workflow
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Includes: Supplementary data
Journal Articles

Design of small molecular hole-transporting materials for stable and high-performance perovskite solar cells

Jiang-Yang Shao, Yu-Wu Zhong
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 2, 021302 (2021)
https://doi.org/10.1063/5.0051254
Published: June 2021
View article titled, Design of small molecular hole-transporting materials for stable and high-performance perovskite solar cells
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Journal Articles

Emergence of new materials for exploiting highly efficient carrier multiplication in photovoltaics

Sourav Maiti, Marco van der Laan, Deepika Poonia, Peter Schall, Sachin Kinge, Laurens D. A. Siebbeles
Journal: Chemical Physics Reviews
Chem. Phys. Rev. 1, 011302 (2020)
https://doi.org/10.1063/5.0025748
Published: November 2020
View article titled, Emergence of new materials for exploiting highly efficient carrier multiplication in photovoltaics
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