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Journal Articles

Why do similar 1D-polyhedron-chain copper chloride semiconductors have 2-order-distinct luminescence quantum efficiencies?

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Ruonan Miao, Huaxin Wu, Tianyuan Liang, Jiyang Fan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244704 (2024)
https://doi.org/10.1063/5.0237879
Published: December 2024
View article titled, Why do similar 1D-polyhedron-chain copper chloride semiconductors have 2-order-distinct luminescence quantum efficiencies?
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Journal Articles

Metal-free carbazole–thiophene photosensitizers designed for a dye-sensitized H2-evolving photocatalyst in Z-scheme water splitting

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Akinobu Nakada, Takayuki Yokota, Morihiko Ogura, Ninghui Chang, Osamu Tomita, Akinori Saeki, Masamichi Ogasawara, Ryu Abe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044710 (2024)
https://doi.org/10.1063/5.0179225
Published: January 2024
View article titled, Metal-free carbazole–thiophene photosensitizers designed for a dye-sensitized H2-evolving photocatalyst in Z-scheme water splitting
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Includes: Supplementary data
Journal Articles

A modeling approach to understanding OLED performance improvements arising from spatial variations in guest:host blend ratio

Open Access
M. Greenberg, S. Sanderson, R. D. White, G. Vamvounis, P. L. Burn, B. Philippa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 034101 (2023)
https://doi.org/10.1063/5.0152922
Published: July 2023
View article titled, A modeling approach to understanding OLED performance improvements arising from spatial variations in guest:host blend ratio
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Includes: Supplementary data
Journal Articles

Fluorographene with impurities as a biomimetic light-harvesting medium

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Vladislav Sláma, Sayeh Rajabi, Tomáš Mančal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 185102 (2022)
https://doi.org/10.1063/5.0089794
Published: May 2022
View article titled, Fluorographene with impurities as a biomimetic light-harvesting medium
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Includes: Supplementary data
Journal Articles

Upconversion properties in lanthanide doped layered-perovskite, CsBiNb2O7

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Hyeongyu Bae, Dongcheol Park, Kyujin Shin, Hohjai Lee, Kang Min Ok, Kang Taek Lee
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 054701 (2021)
https://doi.org/10.1063/5.0024941
Published: February 2021
View article titled, Upconversion properties in lanthanide doped layered-perovskite, CsBiNb2O7
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Includes: Supplementary data
Journal Articles

The effects of oxygen-induced phase segregation on the interfacial electronic structure and quantum efficiency of Cs3Sb photocathodes

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Alice Galdi, William J. I. DeBenedetti, Jan Balajka, Luca Cultrera, Ivan V. Bazarov, Jared M. Maxson, Melissa A. Hines
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 144705 (2020)
https://doi.org/10.1063/5.0024020
Published: October 2020
View article titled, The effects of oxygen-induced phase segregation on the interfacial electronic structure and quantum efficiency of Cs3Sb photocathodes
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Includes: Supplementary data
Journal Articles

Probing the trap states in N–i–P Sb2(S,Se)3 solar cells by deep-level transient spectroscopy

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Weitao Lian, Rongfeng Tang, Yuyuan Ma, Chunyan Wu, Chao Chen, Xiaomin Wang, Fang Fang, Jianwang Zhang, Zheng Wang, Huanxin Ju, Changfei Zhu, Tao Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 124703 (2020)
https://doi.org/10.1063/5.0020244
Published: September 2020
View article titled, Probing the trap states in N–i–P Sb2(S,Se)3 solar cells by deep-level transient spectroscopy
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Includes: Supplementary data
Journal Articles

Enhanced triplet state generation through radical pair intermediates in BODIPY-quantum dot complexes

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Tao Jin, Natalie Uhlikova, Zihao Xu, Yifan Zhu, Yiming Huang, Eilaf Egap, Tianquan Lian
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 241101 (2019)
https://doi.org/10.1063/1.5136045
Published: December 2019
View article titled, Enhanced triplet state generation through radical pair intermediates in BODIPY-quantum dot complexes
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Includes: Supplementary data
Journal Articles

Multiple exciton generation in chiral carbon nanotubes: Density functional theory based computation

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Andrei Kryjevski, Deyan Mihaylov, Svetlana Kilina, Dmitri Kilin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 154106 (2017)
https://doi.org/10.1063/1.4997048
Published: October 2017
View article titled, Multiple exciton generation in chiral carbon nanotubes: Density functional theory based computation
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Journal Articles

Tracking an electronic wave packet in the vicinity of a conical intersection

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Da-Long Qi, Hong-Guang Duan, Zhen-Rong Sun, R. J. Dwayne Miller, Michael Thorwart
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 074101 (2017)
https://doi.org/10.1063/1.4989462
Published: August 2017
View article titled, Tracking an electronic wave packet in the vicinity of a conical intersection
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Journal Articles

Hierarchy of forward-backward stochastic Schrödinger equation

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Yaling Ke, Yi Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 024101 (2016)
https://doi.org/10.1063/1.4955107
Published: July 2016
View article titled, Hierarchy of forward-backward stochastic Schrödinger equation
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Journal Articles

Adaptive time steps in trajectory surface hopping simulations

Open Access
Lasse Spörkel, Walter Thiel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 194108 (2016)
https://doi.org/10.1063/1.4948956
Published: May 2016
View article titled, Adaptive time steps in trajectory surface hopping simulations
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Journal Articles

Communication: Coherences observed in vivo in photosynthetic bacteria using two-dimensional electronic spectroscopy

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Peter D. Dahlberg, Graham J. Norris, Cheng Wang, Subha Viswanathan, Ved P. Singh, Gregory S. Engel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 101101 (2015)
https://doi.org/10.1063/1.4930539
Published: September 2015
View article titled, Communication: Coherences observed in vivo in photosynthetic bacteria using two-dimensional electronic spectroscopy
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Includes: Supplementary data
Journal Articles

Optimizing the fabrication process and interplay of device components of polymer solar cells using a field-based multiscale solar-cell algorithm

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Sergii Donets, Anton Pershin, Stephan A. Baeurle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 184902 (2015)
https://doi.org/10.1063/1.4919649
Published: May 2015
View article titled, Optimizing the fabrication process and interplay of device components of polymer solar cells using a field-based multiscale solar-cell algorithm
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Includes: Supplementary data
Journal Articles

Hybrid-state emission in a polythienylenevinylene derivative with an electron deficient moiety

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Evan Lafalce, Xiaomei Jiang, Jianjun Pan, Christi Whittington, Randy Larsen, Logan P. Sanow, Cheng Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 164702 (2015)
https://doi.org/10.1063/1.4918744
Published: April 2015
View article titled, Hybrid-state emission in a polythienylenevinylene derivative with an electron deficient moiety
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Includes: Supplementary data
Journal Articles

Asynchronous symmetry-based sequences for homonuclear dipolar recoupling in solid-state nuclear magnetic resonance

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Kong Ooi Tan, M. Rajeswari, P. K. Madhu, Matthias Ernst
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 065101 (2015)
https://doi.org/10.1063/1.4907275
Published: February 2015
View article titled, Asynchronous symmetry-based sequences for homonuclear dipolar recoupling in solid-state nuclear magnetic resonance
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Includes: Supplementary data
Journal Articles

Improving triplet-triplet-annihilation based upconversion systems by tuning their topological structure

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Jochen Zimmermann, Roberto Mulet, Gregory D. Scholes, Thomas Wellens, Andreas Buchleitner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 141, 184104 (2014)
https://doi.org/10.1063/1.4901336
Published: November 2014
View article titled, Improving triplet-triplet-annihilation based upconversion systems by tuning their topological structure
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Journal Articles

An atomistic description of the high-field degradation of dielectric polyethylene

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Clive R. Bealing, R. Ramprasad
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 174904 (2013)
https://doi.org/10.1063/1.4824386
Published: November 2013
View article titled, An atomistic description of the high-field degradation of dielectric polyethylene
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Journal Articles

A multiscale modeling study of loss processes in block-copolymer-based solar cell nanodevices

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Sergii Donets, Anton Pershin, Evelin Martine Corvid Christlmaier, Stephan A. Baeurle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 094901 (2013)
https://doi.org/10.1063/1.4792366
Published: March 2013
View article titled, A multiscale modeling study of loss processes in block-copolymer-based solar cell nanodevices
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Includes: Supplementary data
Journal Articles

Quantum efficiency of intermediate-band solar cells based on non-compensated n-p codoped TiO2

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Fengcheng Wu, Haiping Lan, Zhenyu Zhang, Ping Cui
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 104702 (2012)
https://doi.org/10.1063/1.4750981
Published: September 2012
View article titled, Quantum efficiency of intermediate-band solar cells based on non-compensated n-p codoped TiO2
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