Chad E. Junkermeier

Materials Science · Physical Sciences

12h-index3.8kcitations42works0.02yr avg
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Research Topics

Graphene research and applications(21), Fullerene Chemistry and Applications(5), Boron and Carbon Nanomaterials Research(5), Covalent Organic Framework Applications(5), Advanced Chemical Physics Studies(4)

Publications42 total

A ReaxFF-based thermomechanical analysis of N-carbophenes: phase-change, thermal expansion, and high temperature synthesis pathway
ArXiv.org·2026Open Access
A ReaxFF-based thermomechanical analysis of N-carbophenes: phase-change, thermal expansion, and high temperature synthesis pathway
arXiv (Cornell University)·2026Open Access
Density functional tight-binding derived data of gas capture in functionalized carbophenes
Data in Brief·2024Open Access
Corrigendum to “Functionalized carbophenes as high-capacity versatile gas adsorbents: An ab initio study” [Comput. Mater. Sci. 232 (2023) 112665]
Computational Materials Science·2024
Functionalized carbophenes as high-capacity versatile gas adsorbents: An ab initio study
Computational Materials Science·2023· 5 citedOpen Access
Mechanical properties and deformation-driven band gap tuning on [N]-Carbophenes
Computational Materials Science·2023· 4 citedOpen Access
Density Functional Tight-Binding Derived Data of Gas Capture in Functionalized Carbophenes
SSRN Electronic Journal·2023Open Access
Covalent adsorption of functional groups on N-carbophenes
Materials Research Express·2022· 6 citedOpen Access
A novel class of porous 2D hydrocarbons: N-carbophenes
Bulletin of the American Physical Society·2021
<i>N</i>-Carbophenes: two-dimensional covalent organic frameworks derived from linear <i>N</i>-phenylenes
Materials Research Express·2019· 6 citedOpen Access
Ground state determination and band gaps of bilayers of graphenylenes and octafunctionalized-biphenylenes
Computational Materials Science·2019· 8 citedOpen Access
Underwater adhesive using solid–liquid polymer mixes
Materials Today Chemistry·2018· 30 citedOpen Access
Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100)
The Journal of Physical Chemistry B·2017· 31 cited
Porous graphene and graphenylene nanotubes: Electronic structure and strain effects
Computational Materials Science·2017· 12 citedOpen Access
Graphene Chemical Modification
ECS Meeting Abstracts·2016
The ReaxFF reactive force-field: development, applications and future directions
npj Computational Materials·2016· 2.2k citedOpen Access
ReaxFF molecular dynamics simulations of intermediate species in dicyanamide anion and nitric acid hypergolic combustion
Modelling and Simulation in Materials Science and Engineering·2015· 10 cited
Engineering Chemical Functionality in Graphene
ECS Meeting Abstracts·2015
The range of two-body adsorbate-adsorbate interactions on the surface of graphene
Bulletin of the American Physical Society·2014
Fullerenes generated from porous structures
Physical Chemistry Chemical Physics·2014· 45 cited
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Frequent Co-authors

T. L. Reinecke(13), Ricardo Paupitz(11), Adri C. T. van Duin(8), Jeremy T. Robinson(6), Paul E. Sheehan(6), George Psofogiannakis(6), Kat Lavarez(6), Valeria Aparicio Diaz(6), James P. Lewis(5), Ştefan C. Bǎdescu(4), Dmitry Solenov(4), Jedediah Kobebel(4), R. Martin Adra(4), James C. Culbertson(3), E. S. Snow(3), Sandra C. Hernández(3), Rory Stine(3), Scott G. Walton(3), L. M. Dudley(3), Stephen E. Bialkowski(3)