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Journal Articles

Microscopic mechanism of water-assisted diffusional phase transitions in inorganic metal halide perovskites

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Jialin Liu, Xiangming Hao, Marijn A. van Huis, Zhaochuan Fan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 174705 (2024)
https://doi.org/10.1063/5.0220702
Published: November 2024
View articletitled, Microscopic mechanism of water-assisted diffusional phase transitions in inorganic metal halide perovskites
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Journal Articles

Determination of γ/γ′ interface free energy for solid state precipitation in Ni–Al alloys from molecular dynamics simulation

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Jacob P. Tavenner, Mikhail I. Mendelev, Raymond Neuberger, Raymundo Arroyave, Richard Otis, John W. Lawson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 041102 (2024)
https://doi.org/10.1063/5.0217993
Published: July 2024
View articletitled, Determination of γ/γ′ interface free energy for solid state precipitation in Ni–Al alloys from molecular dynamics simulation
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Journal Articles

Spatiotemporal evolution of ultrafast photocarrier dynamics across WS2–ReS2 lateral interface

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Qiannan Cui, Yuanyuan Li, He Zhang, Jianhua Chang, Hua Xu, Chunxiang Xu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 124704 (2024)
https://doi.org/10.1063/5.0198494
Published: March 2024
View articletitled, Spatiotemporal evolution of ultrafast photocarrier dynamics across WS2–ReS2 lateral interface
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Journal Articles

Spontaneous solid-solid interface melting driven by concentration gradient

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Yiying Zhu, Hao Wang, Mo Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 074501 (2019)
https://doi.org/10.1063/1.5116819
Published: August 2019
View articletitled, Spontaneous solid-solid interface melting driven by concentration gradient
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Journal Articles

Crystalline clusters in mW water: Stability, growth, and grain boundaries

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Fabio Leoni, Rui Shi, Hajime Tanaka, John Russo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 044505 (2019)
https://doi.org/10.1063/1.5100812
Published: July 2019
View articletitled, Crystalline clusters in mW water: Stability, growth, and grain boundaries
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Journal Articles

Bidirectional spin filter in a triple orbital molecule junction by tuning the magnetic field along a single direction

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Yong-Chen Xiong, Shi-Jun Luo, Wang-Huai Zhou, Wei Li, Chuan-Kun Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 064110 (2019)
https://doi.org/10.1063/1.5081020
Published: February 2019
View articletitled, Bidirectional spin filter in a triple orbital molecule junction by tuning the magnetic field along a single direction
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Journal Articles

Publisher’s Note: “Bulk-or-interface assignment of heterodyne-detected chiral vibrational sum frequency generation signal by its polarization dependence” [J. Chem. Phys. 149, 244703 (2018)]

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Masanari Okuno (奥野将成), Taka-aki Ishibashi (石橋孝章)
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 049901 (2019)
https://doi.org/10.1063/1.5088161
Published: January 2019
View articletitled, Publisher’s Note: “Bulk-or-interface assignment of heterodyne-detected chiral vibrational sum frequency generation signal by its polarization dependence” [J. Chem. Phys. 149, 244703 (2018)]
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Journal Articles

Interface formation during silica encapsulation of colloidal CdSe/CdS quantum dots observed by in situ Raman spectroscopy

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Amelie Biermann, Tangi Aubert, Philipp Baumeister, Emile Drijvers, Zeger Hens, Janina Maultzsch
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 134708 (2017)
https://doi.org/10.1063/1.4979515
Published: April 2017
View articletitled, Interface formation during silica encapsulation of colloidal CdSe/CdS quantum dots observed by in situ Raman spectroscopy
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Journal Articles

First-principles electrostatic potentials for reliable alignment at interfaces and defects

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Ravishankar Sundararaman, Yuan Ping
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 104109 (2017)
https://doi.org/10.1063/1.4978238
Published: March 2017
View articletitled, First-principles electrostatic potentials for reliable alignment at interfaces and defects
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Includes: Supplementary data
Journal Articles

Soft versus hard junction formation for α-terthiophene molecular wires and their charge transfer complexes

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Andrea Vezzoli, Iain M. Grace, Carly Brooke, Richard J. Nichols, Colin J. Lambert, Simon J. Higgins
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 092307 (2017)
https://doi.org/10.1063/1.4969077
Published: December 2016
View articletitled, Soft versus hard junction formation for α-terthiophene molecular wires and their charge transfer complexes
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Includes: Supplementary data
Journal Articles

Temperature and pressure dependence of the interfacial free energy against a hard surface in contact with water and decane

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Henry S. Ashbaugh, Natalia da Silva Moura, Hayden Houser, Yang Wang, Amy Goodson, J. Wesley Barnett
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 124710 (2016)
https://doi.org/10.1063/1.4963692
Published: September 2016
View articletitled, Temperature and pressure dependence of the interfacial free energy against a hard surface in contact with water and decane
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Includes: Supplementary data
Journal Articles

Fluids with competing interactions. II. Validating a free energy model for equilibrium cluster size

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Jonathan A. Bollinger, Thomas M. Truskett
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 064903 (2016)
https://doi.org/10.1063/1.4960339
Published: August 2016
View articletitled, Fluids with competing interactions. II. Validating a free energy model for equilibrium cluster size
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Journal Articles

Atomic density effects on temperature characteristics and thermal transport at grain boundaries through a proper bin size selection

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Truong Quoc Vo, Murat Barisik, BoHung Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 194707 (2016)
https://doi.org/10.1063/1.4949763
Published: May 2016
View articletitled, Atomic density effects on temperature characteristics and thermal transport at grain boundaries through a proper bin size selection
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Journal Articles

Impact of the intermixed phase and the channel network on the carrier mobility of nanostructured solar cells

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Cristiano F. Woellner, José A. Freire
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 084119 (2016)
https://doi.org/10.1063/1.4942613
Published: February 2016
View articletitled, Impact of the intermixed phase and the channel network on the carrier mobility of nanostructured solar cells
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Journal Articles

Electric response of a metal-molecule-metal junction to laser pulse by solving hierarchical equations of motion

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Hui Cao, Mingdao Zhang, Tao Tao, Mingxia Song, Chaozhi Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 084705 (2015)
https://doi.org/10.1063/1.4913466
Published: February 2015
View articletitled, Electric response of a metal-molecule-metal junction to laser pulse by solving hierarchical equations of motion
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Journal Articles

Modeling light-induced charge transfer dynamics across a metal-molecule-metal junction: Bridging classical electrodynamics and quantum dynamics

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Zixuan Hu, Mark A. Ratner, Tamar Seideman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 141, 224104 (2014)
https://doi.org/10.1063/1.4903046
Published: December 2014
View articletitled, Modeling light-induced charge transfer dynamics across a metal-molecule-metal junction: Bridging classical electrodynamics and quantum dynamics
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Journal Articles

Interface initiation and propagation in liquid demixing with electric fields

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Jennifer Galanis, Yoav Tsori
Journal: The Journal of Chemical Physics
J. Chem. Phys. 141, 214506 (2014)
https://doi.org/10.1063/1.4902406
Published: December 2014
View articletitled, Interface initiation and propagation in liquid demixing with electric fields
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Journal Articles

Defects and strain enhancements of second-harmonic generation in Si/Ge superlattices

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Matteo Bertocchi, Eleonora Luppi, Elena Degoli, Valérie Véniard, Stefano Ossicini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 214705 (2014)
https://doi.org/10.1063/1.4880756
Published: June 2014
View articletitled, Defects and strain enhancements of second-harmonic generation in Si/Ge superlattices
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Journal Articles

Analytical model for the effects of wetting on thermal boundary conductance across solid/classical liquid interfaces

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Matthew E. Caplan, Ashutosh Giri, Patrick E. Hopkins
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 154701 (2014)
https://doi.org/10.1063/1.4870778
Published: April 2014
View articletitled, Analytical model for the effects of wetting on thermal boundary conductance across solid/classical liquid interfaces
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Journal Articles

Phase separation dynamics of simple liquids in non-uniform electric fields

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Jennifer Galanis, Yoav Tsori
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 124505 (2014)
https://doi.org/10.1063/1.4869113
Published: March 2014
View articletitled, Phase separation dynamics of simple liquids in non-uniform electric fields
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