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Journal Articles

Mixed quantum–classical modeling of exciton–phonon scattering in solids: Application to optical linewidths of monolayer MoS2

Alex Krotz, Roel Tempelaar
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044117 (2024)
https://doi.org/10.1063/5.0218973
Published: July 2024
View article titled, Mixed quantum–classical modeling of exciton–phonon scattering in solids: Application to optical linewidths of monolayer MoS<sub>2</sub>
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Journal Articles

Metasurface-enhanced photochemical activity in visible light absorbing semiconductors

Editor’s Pick
Yamuna Paudel, Diego J. Chachayma-Farfan, Andrea Alù, Matthew Y. Sfeir
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144710 (2024)
https://doi.org/10.1063/5.0199589
Published: April 2024
View article titled, Metasurface-enhanced photochemical activity in visible light absorbing semiconductors
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Includes: Supplementary data
Journal Articles

Excitons, optical spectra, and electronic properties of semiconducting Hf-based MXenes

Nilesh Kumar, Miroslav Kolos, Sitangshu Bhattacharya, František Karlický
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 124707 (2024)
https://doi.org/10.1063/5.0197238
Published: March 2024
View article titled, Excitons, optical spectra, and electronic properties of semiconducting Hf-based MXenes
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Includes: Supplementary data
Journal Articles

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

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 H<sub>2</sub>-evolving photocatalyst in Z-scheme water splitting
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Includes: Supplementary data
Journal Articles

Raman spectroscopy study of CdS nanorods and strain induced by the adsorption of 4-mercaptobenzoic acid

Om Prakash, Siva Umapathy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134719 (2023)
https://doi.org/10.1063/5.0142702
Published: April 2023
View article titled, Raman spectroscopy study of CdS nanorods and strain induced by the adsorption of 4-mercaptobenzoic acid
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Includes: Supplementary data
Journal Articles

Visible active narrow/narrow band gap CuO/Cu2SnS3 nanoheterostructures as efficient nanophotocatalysts

Mona Arafa, Yasser Abdelmonem, Metwally Madkour
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 064703 (2023)
https://doi.org/10.1063/5.0135211
Published: February 2023
View article titled, Visible active narrow/narrow band gap CuO/Cu<sub>2</sub>SnS<sub>3</sub> nanoheterostructures as efficient nanophotocatalysts
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Journal Articles

Superoxide intermediate in the oxygen reduction on a zinc hydroxide model corrosion product

Simantini Nayak, P. Ulrich Biedermann, Andreas Erbe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 224702 (2022)
https://doi.org/10.1063/5.0130076
Published: December 2022
View article titled, Superoxide intermediate in the oxygen reduction on a zinc hydroxide model corrosion product
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Includes: Supplementary data
Journal Articles

Nonlinear heating and scattering in a single crystalline silicon nanostructure

Chien-Hsuan Li, Yu-Lung Tang, Junichi Takahara, Shi-Wei Chu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 204202 (2021)
https://doi.org/10.1063/5.0067251
Published: November 2021
View article titled, Nonlinear heating and scattering in a single crystalline silicon nanostructure
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Journal Articles

TiO2-supported Au144 nanoclusters for enhanced sonocatalytic performance

Kouhei Kawamura, Atsuya Ikeda, Ayaka Inui, Ken Yamamoto, Hideya Kawasaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 124702 (2021)
https://doi.org/10.1063/5.0055933
Published: September 2021
View article titled, TiO<sub>2</sub>-supported Au<sub>144</sub> nanoclusters for enhanced sonocatalytic performance
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Includes: Supplementary data
Journal Articles

Fifth-order two-quantum absorptive two-dimensional electronic spectroscopy of CdSe quantum dots

Patrick Brosseau, Samuel Palato, Hélène Seiler, Harry Baker, Patanjali Kambhampati
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 234703 (2020)
https://doi.org/10.1063/5.0021381
Published: December 2020
View article titled, Fifth-order two-quantum absorptive two-dimensional electronic spectroscopy of CdSe quantum dots
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Journal Articles

Surface photovoltage spectroscopy observes junctions and carrier separation in gallium nitride nanowire arrays for overall water-splitting

Scilight
Rachel M. Doughty, Faqrul A. Chowdhury, Zetian Mi, Frank E. Osterloh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 144707 (2020)
https://doi.org/10.1063/5.0021273
Published: October 2020
View article titled, Surface photovoltage spectroscopy observes junctions and carrier separation in gallium nitride nanowire arrays for overall water-splitting
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Includes: Supplementary data
Journal Articles

Quantum plasmons and intraband excitons in doped nanoparticles: Insights from quantum chemistry

Bryan T. G. Lau, Timothy C. Berkelbach
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 224704 (2020)
https://doi.org/10.1063/5.0006429
Published: June 2020
View article titled, Quantum plasmons and intraband excitons in doped nanoparticles: Insights from quantum chemistry
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Journal Articles

First-principles description of intra-chain exciton migration in an oligo(para-phenylene vinylene) chain. I. Generalized Frenkel–Holstein Hamiltonian

Robert Binder, Matteo Bonfanti, David Lauvergnat, Irene Burghardt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 204119 (2020)
https://doi.org/10.1063/5.0004510
Published: May 2020
View article titled, First-principles description of intra-chain exciton migration in an oligo(<em>para</em>-phenylene vinylene) chain. I. Generalized Frenkel–Holstein Hamiltonian
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Includes: Supplementary data
Journal Articles

Exciton relaxation in carbon nanotubes via electronic-to-vibrational energy transfer

Editor’s Pick
Kirill A. Velizhanin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 144703 (2019)
https://doi.org/10.1063/1.5121300
Published: October 2019
View article titled, Exciton relaxation in carbon nanotubes via electronic-to-vibrational energy transfer
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Journal Articles

Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures

Jeremy A. Scher, Michael G. Bayne, Amogh Srihari, Shikha Nangia, Arindam Chakraborty
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 014103 (2018)
https://doi.org/10.1063/1.5026027
Published: July 2018
View article titled, Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of semiconductor nanoparticles at non-zero temperatures
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Journal Articles

Ultrabroadband two-quantum two-dimensional electronic spectroscopy

Tobias A. Gellen, Laurie A. Bizimana, William P. Carbery, Ilana Breen, Daniel B. Turner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 064201 (2016)
https://doi.org/10.1063/1.4960302
Published: August 2016
View article titled, Ultrabroadband two-quantum two-dimensional electronic spectroscopy
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Journal Articles

Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach

G. Gil, S. Corni, A. Delgado, A. Bertoni, G. Goldoni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 074101 (2016)
https://doi.org/10.1063/1.4941565
Published: February 2016
View article titled, Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach
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Journal Articles

Modeling opto-electronic properties of a dye molecule in proximity of a semiconductor nanoparticle

Alain Delgado, Stefano Corni, Guido Goldoni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 024105 (2013)
https://doi.org/10.1063/1.4812680
Published: July 2013
View article titled, Modeling opto-electronic properties of a dye molecule in proximity of a semiconductor nanoparticle
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Journal Articles

Prediction of rock salt structure of (InN)32 nanoparticles from first principles calculations

Prabhsharan Kaur, S. S. Sekhon, Vijay Kumar
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 114310 (2013)
https://doi.org/10.1063/1.4795580
Published: March 2013
View article titled, Prediction of rock salt structure of (InN)<sub>32</sub> nanoparticles from first principles calculations
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Journal Articles

Electronic structure tuning of diamondoids through functionalization

Torbjörn Rander, Matthias Staiger, Robert Richter, Tobias Zimmermann, Lasse Landt, David Wolter, Jeremy E. Dahl, Robert M. K. Carlson, Boryslav A. Tkachenko, Natalie A. Fokina, Peter R. Schreiner, Thomas Möller, Christoph Bostedt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 024310 (2013)
https://doi.org/10.1063/1.4774268
Published: January 2013
View article titled, Electronic structure tuning of diamondoids through functionalization
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