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Journal Articles

ReaxFF studies of surface fluorination of alumina and etching of alumina/aluminum metal heterostructures under gas-phase hydrogen fluoride exposure

Yuwei Zhang, Yun Kyung Shin, Adri C. T. van Duin

J. Chem. Phys. 162, 194708 (2025)

https://doi.org/10.1063/5.0260909

Published: May 2025

View articletitled, ReaxFF studies of surface fluorination of alumina and etching of alumina/aluminum metal heterostructures under gas-phase hydrogen fluoride exposure

Journal Articles

Novel first-principles insights into graphene fluorination

Tahereh Malakoutikhah, S. Javad Hashemifar, Mojtaba Alaei

J. Chem. Phys. 157, 054706 (2022)

https://doi.org/10.1063/5.0091279

Published: August 2022

View articletitled, Novel first-principles insights into graphene fluorination

Includes: Supplementary data

Journal Articles

Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion

Daniel Tunega, Michelle L. Pantoya, Reed Nieman, Hans Lischka, Adelia J. A. Aquino

J. Chem. Phys. 154, 104308 (2021)

https://doi.org/10.1063/5.0040189

Published: March 2021

View articletitled, Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion

Includes: Supplementary data

Journal Articles

Temporary anion states of fluorine substituted benzenes probed by charge transfer in O₂⁻·C₆H_6−xF_x (x = 0–5) ion–molecule complexes

Marissa A. Dobulis, Michael C. Thompson, Thomas Sommerfeld, Caroline Chick Jarrold

J. Chem. Phys. 152, 204309 (2020)

https://doi.org/10.1063/5.0011321

Published: May 2020

View articletitled, Temporary anion states of fluorine substituted benzenes probed by charge transfer in O2−·C6H6−xFx (x = 0–5) ion–molecule complexes

Includes: Supplementary data

Journal Articles

Ultrafast excited-state proton transfer dynamics in dihalogenated non-fluorescent and fluorescent GFP chromophores

Cheng Chen, Liangdong Zhu, Sean A. Boulanger, Nadezhda S. Baleeva, Ivan N. Myasnyanko, Mikhail S. Baranov, Chong Fang

J. Chem. Phys. 152, 021101 (2020)

https://doi.org/10.1063/1.5138666

Published: January 2020

View articletitled, Ultrafast excited-state proton transfer dynamics in dihalogenated non-fluorescent and fluorescent GFP chromophores

Includes: Supplementary data

Journal Articles

Competition between Al₂O₃ atomic layer etching and AlF₃ atomic layer deposition using sequential exposures of trimethylaluminum and hydrogen fluoride

Jaime W. DuMont, Steven M. George

J. Chem. Phys. 146, 052819 (2017)

https://doi.org/10.1063/1.4973310

Published: January 2017

View articletitled, Competition between Al2O3 atomic layer etching and AlF3 atomic layer deposition using sequential exposures of trimethylaluminum and hydrogen fluoride

Journal Articles

Self-assembly of F₁₆ZnPc thin films and F₁₆ZnPc-ZnPc heterostructures on deactivated Si surfaces studied by scanning tunneling microscopy

Andrew Tan, Sean Wagner, Pengpeng Zhang

J. Chem. Phys. 146, 052809 (2017)

https://doi.org/10.1063/1.4967262

Published: November 2016

View articletitled, Self-assembly of F16ZnPc thin films and F16ZnPc-ZnPc heterostructures on deactivated Si surfaces studied by scanning tunneling microscopy

Journal Articles

Experimental observation of structures with subtle balance between strong hydrogen bond and weak n → π^* interaction: Gas phase laser spectroscopy of 7-azaindole⋯fluorosubstituted pyridines

Santosh K. Singh, Jamuna K. Vaishnav, Aloke Das

J. Chem. Phys. 145, 104302 (2016)

https://doi.org/10.1063/1.4962358

Published: September 2016

View articletitled, Experimental observation of structures with subtle balance between strong hydrogen bond and weak n → π* interaction: Gas phase laser spectroscopy of 7-azaindole⋯fluorosubstituted pyridines

Includes: Supplementary data

Journal Articles

Characterizing fluorocarbon assisted atomic layer etching of Si using cyclic Ar/C₄F₈ and Ar/CHF₃ plasma

Dominik Metzler, Chen Li, Sebastian Engelmann, Robert L. Bruce, Eric A. Joseph, Gottlieb S. Oehrlein

J. Chem. Phys. 146, 052801 (2017)

https://doi.org/10.1063/1.4961458

Published: September 2016

View articletitled, Characterizing fluorocarbon assisted atomic layer etching of Si using cyclic Ar/C4F8 and Ar/CHF3 plasma

Journal Articles

DFT study of the effect of fluorine atoms on the crystal structure and semiconducting properties of poly(arylene-ethynylene) derivatives

Mónica Moral, Gregorio García, Andrés Garzón, José M. Granadino-Roldán, Manuel Fernández-Gómez

J. Chem. Phys. 144, 154902 (2016)

https://doi.org/10.1063/1.4945447

Published: April 2016

View articletitled, DFT study of the effect of fluorine atoms on the crystal structure and semiconducting properties of poly(arylene-ethynylene) derivatives

Includes: Supplementary data

Journal Articles

High resolution IR diode laser study of collisional energy transfer between highly vibrationally excited monofluorobenzene and CO₂: The effect of donor fluorination on strong collision energy transfer

Kilyoung Kim, Alan M. Johnson, Amber L. Powell, Deborah G. Mitchell, Eric T. Sevy

J. Chem. Phys. 141, 234306 (2014)

https://doi.org/10.1063/1.4903252

Published: December 2014

View articletitled, High resolution IR diode laser study of collisional energy transfer between highly vibrationally excited monofluorobenzene and CO2: The effect of donor fluorination on strong collision energy transfer

Journal Articles

Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?

J. C. Sancho-García, A. J. Pérez-Jiménez

J. Chem. Phys. 141, 134708 (2014)

https://doi.org/10.1063/1.4897205

Published: October 2014

View articletitled, Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?

Includes: Supplementary data

Journal Articles

Epitaxial growth and electronic properties of well ordered phthalocyanine heterojunctions MnPc/F₁₆CoPc

Susi Lindner, Benjamin Mahns, Uwe Treske, Oleg Vilkov, Francisc Haidu, Michael Fronk, Dietrich R. T. Zahn, Martin Knupfer

J. Chem. Phys. 141, 094706 (2014)

https://doi.org/10.1063/1.4894757

Published: September 2014

View articletitled, Epitaxial growth and electronic properties of well ordered phthalocyanine heterojunctions MnPc/F16CoPc

Journal Articles

Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine

Sareh Ahmadi, Björn Agnarsson, Ieva Bidermane, Bastian M. Wojek, Quentin Noël, Chenghua Sun, Mats Göthelid

J. Chem. Phys. 140, 174702 (2014)

https://doi.org/10.1063/1.4870762

Published: May 2014

View articletitled, Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine

Journal Articles

Communication: Site-dependent reactivity between chlorine atoms and mixed-chain-length alkanethiolate monolayers

David Y. Lee, S. Alex Kandel

J. Chem. Phys. 139, 161103 (2013)

https://doi.org/10.1063/1.4827101

Published: October 2013

View articletitled, Communication: Site-dependent reactivity between chlorine atoms and mixed-chain-length alkanethiolate monolayers

Journal Articles

Communication: Long-lived states of nuclear spins in solids

A. Turanov, A. K. Khitrin

J. Chem. Phys. 139, 091102 (2013)

https://doi.org/10.1063/1.4820948

Published: September 2013

View articletitled, Communication: Long-lived states of nuclear spins in solids

Journal Articles

Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids

Henry Weber, Oldamur Hollóczki, Alfonso S. Pensado, Barbara Kirchner

J. Chem. Phys. 139, 084502 (2013)

https://doi.org/10.1063/1.4818540

Published: August 2013

View articletitled, Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids

Includes: Supplementary data

Journal Articles

Multi-state vibronic interactions in the 1,2,3-trifluorobenzene radical cation

Shirin Faraji, Horst Köppel

J. Chem. Phys. 137, 22A531 (2012)

https://doi.org/10.1063/1.4746159

Published: August 2012

View articletitled, Multi-state vibronic interactions in the 1,2,3-trifluorobenzene radical cation

Journal Articles

UV photodissociation dynamics of iodobenzene: Effects of fluorination

Daniel Murdock, Martin B. Crow, Grant A. D. Ritchie, Michael N. R. Ashfold

J. Chem. Phys. 136, 124313 (2012)

https://doi.org/10.1063/1.3696892

Published: March 2012

View articletitled, UV photodissociation dynamics of iodobenzene: Effects of fluorination

Includes: Supplementary data

Journal Articles

Hydrogen fluoride adsorption and reaction on the α-Al₂O₃(0001) surface: A density functional theory study

Jie-Li Quan, Bo-Tao Teng, Xiao-Dong Wen, Yue Zhao, Rui Liu, Meng-Fei Luo

J. Chem. Phys. 136, 114701 (2012)

https://doi.org/10.1063/1.3694102

Published: March 2012

View articletitled, Hydrogen fluoride adsorption and reaction on the α-Al2O3(0001) surface: A density functional theory study

Includes: Supplementary data

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ReaxFF studies of surface fluorination of alumina and etching of alumina/aluminum metal heterostructures under gas-phase hydrogen fluoride exposure

Novel first-principles insights into graphene fluorination

Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion

Temporary anion states of fluorine substituted benzenes probed by charge transfer in O₂⁻·C₆H_6−xF_x (x = 0–5) ion–molecule complexes

Ultrafast excited-state proton transfer dynamics in dihalogenated non-fluorescent and fluorescent GFP chromophores

Competition between Al₂O₃ atomic layer etching and AlF₃ atomic layer deposition using sequential exposures of trimethylaluminum and hydrogen fluoride

Self-assembly of F₁₆ZnPc thin films and F₁₆ZnPc-ZnPc heterostructures on deactivated Si surfaces studied by scanning tunneling microscopy

Experimental observation of structures with subtle balance between strong hydrogen bond and weak n → π^* interaction: Gas phase laser spectroscopy of 7-azaindole⋯fluorosubstituted pyridines

Characterizing fluorocarbon assisted atomic layer etching of Si using cyclic Ar/C₄F₈ and Ar/CHF₃ plasma

DFT study of the effect of fluorine atoms on the crystal structure and semiconducting properties of poly(arylene-ethynylene) derivatives

High resolution IR diode laser study of collisional energy transfer between highly vibrationally excited monofluorobenzene and CO₂: The effect of donor fluorination on strong collision energy transfer

Theoretical study of stability and charge-transport properties of coronene molecule and some of its halogenated derivatives: A path to ambipolar organic-based materials?

Epitaxial growth and electronic properties of well ordered phthalocyanine heterojunctions MnPc/F₁₆CoPc

Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine

Communication: Site-dependent reactivity between chlorine atoms and mixed-chain-length alkanethiolate monolayers

Communication: Long-lived states of nuclear spins in solids

Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids

Multi-state vibronic interactions in the 1,2,3-trifluorobenzene radical cation

UV photodissociation dynamics of iodobenzene: Effects of fluorination

Hydrogen fluoride adsorption and reaction on the α-Al₂O₃(0001) surface: A density functional theory study

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