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Journal Articles

The influence of water polarization on slip friction at charged interfaces

Amith Kunhunni, Sleeba Varghese, Sridhar Kumar Kannam, Sarith P. Sathian, Peter J. Daivis, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204705 (2024)
https://doi.org/10.1063/5.0232332
Published: November 2024
View article titled, The influence of water polarization on slip friction at charged interfaces
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Journal Articles

Understanding long-range opposite charge repulsion in multivalent salt solutions

Nikhil R. Agrawal, Carlo Carraro, Rui Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204902 (2024)
https://doi.org/10.1063/5.0235611
Published: November 2024
View article titled, Understanding long-range opposite charge repulsion in multivalent salt solutions
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Journal Articles

Existence of a maximum flow rate in electro-osmotic systems

Sleeba Varghese, B. D. Todd, J. S. Hansen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194502 (2024)
https://doi.org/10.1063/5.0231610
Published: November 2024
View article titled, Existence of a maximum flow rate in electro-osmotic systems
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Journal Articles

Structure and dynamics of amphiphilic patchy cubes in a nanoslit under shear

Takahiro Ikeda, Yusei Kobayashi, Masashi Yamakawa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 024901 (2024)
https://doi.org/10.1063/5.0216550
Published: July 2024
View article titled, Structure and dynamics of amphiphilic patchy cubes in a nanoslit under shear
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Journal Articles

Elucidating the transport of water and ions in the nanochannel of covalent organic frameworks by molecular dynamics

Yahui Xie, Chuan-Qi Huang, Ke Zhou, Yilun Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 014708 (2024)
https://doi.org/10.1063/5.0195205
Published: July 2024
View article titled, Elucidating the transport of water and ions in the nanochannel of covalent organic frameworks by molecular dynamics
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Journal Articles

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

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 article titled, Nontrivial effects of geometric and charge defects on one-dimensional confined water
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Journal Articles

Hydrodynamic slip characteristics of shear-driven water flow in nanoscale carbon slits

Abdul Aziz Shuvo, Luis E. Paniagua-Guerra, Xiang Yang, Bladimir Ramos-Alvarado
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 194704 (2024)
https://doi.org/10.1063/5.0197271
Published: May 2024
View article titled, Hydrodynamic slip characteristics of shear-driven water flow in nanoscale carbon slits
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Includes: Supplementary data
Journal Articles

Field-driven polyelectrolyte–polymer collisions in nanochannels

H. Y. Wang, G. W. Slater
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 194902 (2024)
https://doi.org/10.1063/5.0195302
Published: May 2024
View article titled, Field-driven polyelectrolyte–polymer collisions in nanochannels
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Journal Articles

Wettability-modulated behavior of polymers under varying degrees of nano-confinement

Vinay Arya, Abhirup Chaudhuri, Chirodeep Bakli
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 064905 (2024)
https://doi.org/10.1063/5.0185533
Published: February 2024
View article titled, Wettability-modulated behavior of polymers under varying degrees of nano-confinement
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Includes: Supplementary data
Journal Articles

From ab initio to continuum: Linking multiple scales using deep-learned forces

Haiyi Wu, Chenxing Liang, Jinu Jeong, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 184108 (2023)
https://doi.org/10.1063/5.0166927
Published: November 2023
View article titled, From <em>ab initio</em> to continuum: Linking multiple scales using deep-learned forces
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Includes: Supplementary data
Journal Articles

Electrophoresis of ions and electrolyte conductivity: From bulk to nanochannels

Olga I. Vinogradova, Elena F. Silkina
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 174707 (2023)
https://doi.org/10.1063/5.0168557
Published: November 2023
View article titled, Electrophoresis of ions and electrolyte conductivity: From bulk to nanochannels
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Journal Articles

Neural network predicts ion concentration profiles under nanoconfinement

Zhonglin Cao, Yuyang Wang, Cooper Lorsung, Amir Barati Farimani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 094702 (2023)
https://doi.org/10.1063/5.0147119
Published: September 2023
View article titled, Neural network predicts ion concentration profiles under nanoconfinement
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Journal Articles

Functionalized carbon nanocones performance in water harvesting

Fernanda R.Leivas, Marcia C. Barbosa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 194702 (2023)
https://doi.org/10.1063/5.0142718
Published: May 2023
View article titled, Functionalized carbon nanocones performance in water harvesting
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Journal Articles

Diffusion of knots in nanochannel-confined DNA molecules

Runfang Mao, Kevin D. Dorfman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 194901 (2023)
https://doi.org/10.1063/5.0151025
Published: May 2023
View article titled, Diffusion of knots in nanochannel-confined DNA molecules
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Includes: Supplementary data
Journal Articles

The nanofluidic capacitor: Differential capacitance in the absence of reservoirs

Mpumelelo Matse, Peter Berg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164702 (2023)
https://doi.org/10.1063/5.0132546
Published: April 2023
View article titled, The nanofluidic capacitor: Differential capacitance in the absence of reservoirs
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Journal Articles

Novel tungsten nitride crystal providing nanochannels for hydrogen removal and recycling in PFMs

Pengfei Yu, Bicai Pan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124125 (2023)
https://doi.org/10.1063/5.0145342
Published: March 2023
View article titled, Novel tungsten nitride crystal providing nanochannels for hydrogen removal and recycling in PFMs
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Journal Articles

Effects of interfacial molecular mobility on thermal boundary conductance at solid–liquid interface

Abhijith Anandakrishnan, Bladimir Ramos-Alvarado, Sridhar Kumar Kannam, Sarith P. Sathian
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 094710 (2023)
https://doi.org/10.1063/5.0131536
Published: March 2023
View article titled, Effects of interfacial molecular mobility on thermal boundary conductance at solid–liquid interface
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Includes: Supplementary data
Journal Articles

Biphasic concentration patterns in ionic transport under nanoconfinement revealed in steady-state and time-dependent properties

María Queralt-Martín, José J. Pérez-Grau, Laidy M. Alvero González, D. Aurora Perini, Javier Cervera, Vicente M. Aguilella, Antonio Alcaraz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 064701 (2023)
https://doi.org/10.1063/5.0136668
Published: February 2023
View article titled, Biphasic concentration patterns in ionic transport under nanoconfinement revealed in steady-state and time-dependent properties
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Includes: Supplementary data
Journal Articles

Does twist angle affect the properties of water confined inside twisted bilayer graphene?

Jeet Majumdar, Subhadeep Dasgupta, Soham Mandal, Mohd Moid, Manish Jain, Prabal K. Maiti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 034501 (2023)
https://doi.org/10.1063/5.0139256
Published: January 2023
View article titled, Does twist angle affect the properties of water confined inside twisted bilayer graphene?
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Journal Articles

Structural and charge transfer properties of ion intercalated 2D and bulk ice

S. Ghasemi, S. A. Ketabi, M. Neek-Amal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 154704 (2022)
https://doi.org/10.1063/5.0120466
Published: October 2022
View article titled, Structural and charge transfer properties of ion intercalated 2D and bulk ice
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Includes: Supplementary data