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Journal Articles

Atomic deuterium bonding to multi-walled carbon nano tubes

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Sammar Tayyab, Alice Apponi, Maria Grazia Betti, Elena Blundo, Orlando Castellano, Gianluca Cavoto, Francesco Pandolfi, Antonio Polimeni, Ilaria Rago, Alessandro Ruocco, Ravi Prakash Yadav, Carlo Mariani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 194704 (2025)
https://doi.org/10.1063/5.0250642
Published: May 2025
View articletitled, Atomic deuterium bonding to multi-walled carbon nano tubes
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Journal Articles

Scaling law of quantum confinement in single-walled carbon nanotubes

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Benjamin Eller, Charles W. Clark, YuHuang Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144303 (2025)
https://doi.org/10.1063/5.0245889
Published: April 2025
View articletitled, Scaling law of quantum confinement in single-walled carbon nanotubes
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Journal Articles

Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization

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Louis E. S. Hoffenberg, Alexander Khrabry, Yuri Barsukov, Igor D. Kaganovich, David B. Graves
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 134305 (2025)
https://doi.org/10.1063/5.0236122
Published: April 2025
View articletitled, Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization
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Journal Articles

Microstructural geometry revealed by NMR line shape analysis

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Mohamad Niknam, Louis-S. Bouchard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 084113 (2025)
https://doi.org/10.1063/5.0245237
Published: February 2025
View articletitled, Microstructural geometry revealed by NMR line shape analysis
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Journal Articles

Nanoscale water behavior and its impact on adsorption: A case study with CNTs and diclofenac

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Patrick R. B. Côrtes, Nicolás A. Loubet, Luana S. Moreira, Cintia A. Menéndez, Gustavo A. Appignanesi, Mateus H. Köhler, José Rafael Bordin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 034701 (2025)
https://doi.org/10.1063/5.0246155
Published: January 2025
View articletitled, Nanoscale water behavior and its impact on adsorption: A case study with CNTs and diclofenac
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Journal Articles

Characterization of interactions in battery slurry via MD simulation: Influence on miscibility, morphology, and dispersion with varying ACN content in HNBR

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Anseong Park, Seungtae Kim, Je-Yeon Jung, WooJin Kim, Min Young Seo, Sangdeok Kim, Chongyong Nam, Won Bo Lee, YongJoo Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 234905 (2024)
https://doi.org/10.1063/5.0244629
Published: December 2024
View articletitled, Characterization of interactions in battery slurry via MD simulation: Influence on miscibility, morphology, and dispersion with varying ACN content in HNBR
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Journal Articles

Dielectric properties of nanoconfined water

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Sayantan Mondal, Biman Bagchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 220901 (2024)
https://doi.org/10.1063/5.0234293
Published: December 2024
View articletitled, Dielectric properties of nanoconfined water
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Journal Articles

On the increase of the melting temperature of water confined in one-dimensional nano-cavities

Open Access
Flaviano Della Pia, Andrea Zen, Venkat Kapil, Fabian L. Thiemann, Dario Alfè, Angelos Michaelides
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 224706 (2024)
https://doi.org/10.1063/5.0239452
Published: December 2024
View articletitled, On the increase of the melting temperature of water confined in one-dimensional nano-cavities
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Journal Articles

Rational design of MoS2/CNT heterostructure with rich S-vacancy for enhanced HER performance

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Yuxin Sun, Jinhua Li, Zhiying Wang, Fengxue Tan, Kaixi Shi, Yingjiao Zhai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184705 (2024)
https://doi.org/10.1063/5.0237254
Published: November 2024
View articletitled, Rational design of MoS2/CNT heterostructure with rich S-vacancy for enhanced HER performance
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Journal Articles

Capillary filling dynamics in closed-end carbon nanotubes—Defying the classical Lucas–Washburn paradigm

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Abhirup Chaudhuri, Vinay Arya, Chirodeep Bakli, Suman Chakraborty
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184702 (2024)
https://doi.org/10.1063/5.0237885
Published: November 2024
View articletitled, Capillary filling dynamics in closed-end carbon nanotubes—Defying the classical Lucas–Washburn paradigm
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Journal Articles

A spectrometer design that eliminates incoherent mixing signals in 2D action spectroscopies

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Zachary M. Faitz, Dasol Im, Chris J. Blackwell, Michael S. Arnold, Martin T. Zanni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134202 (2024)
https://doi.org/10.1063/5.0229181
Published: October 2024
View articletitled, A spectrometer design that eliminates incoherent mixing signals in 2D action spectroscopies
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Journal Articles

Second harmonic scattering reveals different orientational orders inside the hydrophobic cavity of hybrid nanotubes

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Ali Dhaini, Bénédicte Prelot, Antoine Thill, Gaelle Martin-Gassin, Pierre-Marie Gassin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134707 (2024)
https://doi.org/10.1063/5.0226364
Published: October 2024
View articletitled, Second harmonic scattering reveals different orientational orders inside the hydrophobic cavity of hybrid nanotubes
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Journal Articles

Ionic Coulomb blockade controls the current in a short narrow carbon nanotube

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William A. T. Gibby, Miraslau L. Barabash, Igor A. Khovanov, Dmitry G. Luchinsky, Peter V. E. McClintock
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054710 (2024)
https://doi.org/10.1063/5.0210853
Published: August 2024
View articletitled, Ionic Coulomb blockade controls the current in a short narrow carbon nanotube
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Journal Articles

Water structures in tip-charged carbon nanotubes

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Yûi Ono, Eiji Yamamoto, Kenji Yasuoka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054702 (2024)
https://doi.org/10.1063/5.0218315
Published: August 2024
View articletitled, Water structures in tip-charged carbon nanotubes
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Journal Articles

Quantifying carrier density in monolayer MoS2 by optical spectroscopy

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Alexis R. Myers, Dana B. Sulas-Kern, Rao Fei, Debjit Ghoshal, M. Alejandra Hermosilla-Palacios, Jeffrey L. Blackburn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044706 (2024)
https://doi.org/10.1063/5.0213720
Published: July 2024
View articletitled, Quantifying carrier density in monolayer MoS2 by optical spectroscopy
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Journal Articles

Water at the nanoscale: From filling or dewetting hydrophobic pores and carbon nanotubes to “sliding” on graphene

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Sebastián R. Accordino, Laureano M. Alarcón, Nicolás A. Loubet, Gustavo A. Appignanesi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044504 (2024)
https://doi.org/10.1063/5.0215579
Published: July 2024
View articletitled, Water at the nanoscale: From filling or dewetting hydrophobic pores and carbon nanotubes to “sliding” on graphene
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Journal Articles

Identification of the conductivity type of single-walled carbon nanotubes via dual-modulation dielectric force microscopy

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Junqi Lai, Wenyuan Wang, Shuai Liu, Bowen Chen, Lixing Kang, Qi Chen, Liwei Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034201 (2024)
https://doi.org/10.1063/5.0205512
Published: July 2024
View articletitled, Identification of the conductivity type of single-walled carbon nanotubes via dual-modulation dielectric force microscopy
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Journal Articles

Nontrivial effects of geometric and charge defects on one-dimensional confined water

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Minmin Xue, Chun Shen, Zhuhua Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 014704 (2024)
https://doi.org/10.1063/5.0216298
Published: July 2024
View articletitled, Nontrivial effects of geometric and charge defects on one-dimensional confined water
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Journal Articles

Onset of spin entanglement in doped carbon nanotubes studied by EPR

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Andreas Sperlich, Klaus H. Eckstein, Florian Oberndorfer, Bernd K. Sturdza, Michael Auth, Vladimir Dyakonov, Roland Mitric, Tobias Hertel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234702 (2024)
https://doi.org/10.1063/5.0207502
Published: June 2024
View articletitled, Onset of spin entanglement in doped carbon nanotubes studied by EPR
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Journal Articles

Potassium doping of vertically aligned multi-walled carbon nanotubes

Open Access
Nuria Jiménez-Arévalo, Francesco Filoscia, Dario Marchiani, Riccardo Frisenda, Maria Grazia Betti, Ilaria Rago, Francesco Pandolfi, Gianluca Cavoto, Carlo Mariani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214707 (2024)
https://doi.org/10.1063/5.0206952
Published: June 2024
View articletitled, Potassium doping of vertically aligned multi-walled carbon nanotubes
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