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Journal Articles

Electron thermalization length in solid para-hydrogen at low-temperature

A. F. Borghesani, G. Carugno, G. Messineo, J. Pazzini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 104501 (2023)
https://doi.org/10.1063/5.0163776
Published: September 2023
View article titled, Electron thermalization length in solid para-hydrogen at low-temperature
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Journal Articles

First-principles study of controllable contact types in Janus MoSH/GaN van der Waals heterostructure

Yutao Liu, Tinghong Gao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 091101 (2023)
https://doi.org/10.1063/5.0164208
Published: September 2023
View article titled, First-principles study of controllable contact types in Janus MoSH/GaN van der Waals heterostructure
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Includes: Supplementary data
Journal Articles

Effects of hole transporting PEDOT:PSS on the photoemission of upconverted hot electron in Mn-doped CdS/ZnS quantum dots

Chih-Wei Wang, Hong Rae Kim, Jared Hampton, Doyun Kim, Qing Tu, Jae-Chul Pyun, Dong Hee Son
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054703 (2023)
https://doi.org/10.1063/5.0156528
Published: August 2023
View article titled, Effects of hole transporting PEDOT:PSS on the photoemission of upconverted hot electron in Mn-doped CdS/ZnS quantum dots
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Includes: Supplementary data
Journal Articles

Dirac cones in bipartite square–octagon lattice: A theoretical approach

Junwei He, Zhirong Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044713 (2023)
https://doi.org/10.1063/5.0160658
Published: July 2023
View article titled, Dirac cones in bipartite square–octagon lattice: A theoretical approach
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Includes: Supplementary data
Journal Articles

Thermoelectric response of Janus monolayer M2P2S3Se3 (M = Zn and Cd)

Zhuyu Feng, Yuhong Huang, Shujing Lin, Hongkuang Yuan, Hong Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044115 (2023)
https://doi.org/10.1063/5.0146240
Published: July 2023
View article titled, Thermoelectric response of Janus monolayer M<sub>2</sub>P<sub>2</sub>S<sub>3</sub>Se<sub>3</sub> (M = Zn and Cd)
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Includes: Supplementary data
Journal Articles

Stark control of electrons across the molecule–semiconductor interface

Antonio J. Garzón-Ramírez, Ignacio Franco
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044704 (2023)
https://doi.org/10.1063/5.0154862
Published: July 2023
View article titled, Stark control of electrons across the molecule–semiconductor interface
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Journal Articles

Spin- and angle-resolved photoemission spectroscopy study of heptahelicene layers on Cu(111) surfaces

M. Baljozović, B. Arnoldi, S. Grass, J. Lacour, M. Aeschlimann, B. Stadtmüller, K.-H. Ernst
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044701 (2023)
https://doi.org/10.1063/5.0156581
Published: July 2023
View article titled, Spin- and angle-resolved photoemission spectroscopy study of heptahelicene layers on Cu(111) surfaces
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Includes: Supplementary data
Journal Articles

Spin-velocity locking in a helical chain of atomic p± orbitals

Shinnosuke Kashiwa, Hiroshi Akera
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 214705 (2023)
https://doi.org/10.1063/5.0152103
Published: June 2023
View article titled, Spin-velocity locking in a helical chain of atomic p<sub>±</sub> orbitals
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Journal Articles

Effect of surface functional groups on MXene conductivity

Rabi Khanal, Stephan Irle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 194701 (2023)
https://doi.org/10.1063/5.0141589
Published: May 2023
View article titled, Effect of surface functional groups on MXene conductivity
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Includes: Supplementary data
Journal Articles

Development of Cu–In–Ga–S quantum dots with a narrow emission peak for red electroluminescence

Chang Jiang, Makoto Tozawa, Kazutaka Akiyoshi, Tatsuya Kameyama, Takahisa Yamamoto, Genichi Motomura, Yoshihide Fujisaki, Taro Uematsu, Susumu Kuwabata, Tsukasa Torimoto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164708 (2023)
https://doi.org/10.1063/5.0144271
Published: April 2023
View article titled, Development of Cu–In–Ga–S quantum dots with a narrow emission peak for red electroluminescence
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Includes: Supplementary data
Journal Articles

Tunability of silicon clathrate film properties by controlled guest-occupation of their cages

Romain Vollondat, Daniel Stoeffler, Daniele Preziosi, Stéphane Roques, Abdelilah Slaoui, Thomas Fix
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164709 (2023)
https://doi.org/10.1063/5.0143828
Published: April 2023
View article titled, Tunability of silicon clathrate film properties by controlled guest-occupation of their cages
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Includes: Supplementary data
Journal Articles

Computational and experimental studies on band alignment of ZnO/InxGa2−xO3/GaN heterojunctions

Xilai Liu, Chunxiang Zhao, Chunyao Niu, Yu Jia
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134720 (2023)
https://doi.org/10.1063/5.0134277
Published: April 2023
View article titled, Computational and experimental studies on band alignment of ZnO/In<sub>x</sub>Ga<sub>2−x</sub>O<sub>3</sub>/GaN heterojunctions
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Journal Articles

A pressure-induced high-pressure metallic GeTe phase

Lamei Zhao, Xinran Zhang, Biao Wan, Zhuangfei Zhang, Weixia Shen, Yuewen Zhang, Chao Fang, Liangchao Chen, Qianqian Wang, Julong He, Xiaopeng Jia
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134711 (2023)
https://doi.org/10.1063/5.0143506
Published: April 2023
View article titled, A pressure-induced high-pressure metallic GeTe phase
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Journal Articles

Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots

Ashley M. Stingel, Jari Leemans, Zeger Hens, Pieter Geiregat, Poul B. Petersen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 114202 (2023)
https://doi.org/10.1063/5.0139795
Published: March 2023
View article titled, Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots
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Includes: Supplementary data
Journal Articles

On the self-consistency of DFT-1/2

Hanli Cui, Shengxin Yang, Kan-Hao Xue, Jinhai Huang, Xiangshui Miao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 094103 (2023)
https://doi.org/10.1063/5.0137534
Published: March 2023
View article titled, On the self-consistency of DFT-1/2
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Journal Articles

Geometric, electronic and transport properties of bulged graphene: A theoretical study

Faling Ling, Rui Liao, Chao Yuan, Xiaowen Shi, Li Li, Xianju Zhou, Xiao Tang, Chuan Jing, Yongjie Wang, Sha Jiang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 084702 (2023)
https://doi.org/10.1063/5.0134654
Published: February 2023
View article titled, Geometric, electronic and transport properties of bulged graphene: A theoretical study
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Journal Articles

Theory of radial oscillations in metal nanoparticles driven by optically induced electron density gradients

Robert Salzwedel, Andreas Knorr, Dominik Hoeing, Holger Lange, Malte Selig
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 064107 (2023)
https://doi.org/10.1063/5.0139629
Published: February 2023
View article titled, Theory of radial oscillations in metal nanoparticles driven by optically induced electron density gradients
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Journal Articles

Exciton dispersion and exciton–phonon interaction in solids by time-dependent density functional theory

Junyi Liu, Gang Lu, Xu Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 044116 (2023)
https://doi.org/10.1063/5.0137326
Published: January 2023
View article titled, Exciton dispersion and exciton–phonon interaction in solids by time-dependent density functional theory
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Journal Articles

Thermoelectric transport properties of orthorhombic RbBaX (X = Sb, Bi) with strong anharmonicity

Xuhao Song, Yinchang Zhao, Min He, Jun Ni, Sheng Meng, Zhenhong Dai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 014107 (2023)
https://doi.org/10.1063/5.0135207
Published: January 2023
View article titled, Thermoelectric transport properties of orthorhombic RbBaX (X = Sb, Bi) with strong anharmonicity
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Includes: Supplementary data
Journal Articles

Computational description of surface hydride phases on Pt(111) electrodes

Selwyn Hanselman, Federico Calle-Vallejo, Marc T. M. Koper
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 014703 (2023)
https://doi.org/10.1063/5.0125436
Published: January 2023
View article titled, Computational description of surface hydride phases on Pt(111) electrodes
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Includes: Supplementary data