Properties of Fluorinated Graphene Films
Robinson, Jeremy T, Burgess, James S, Junkermeier, Chad E, Badescu, Stefan C, Reinecke, Thomas L, Perkins, F. Keith, Zalalutdniov, Maxim K, Baldwin, Jeffrey W, Culbertson, James C, Sheehan, Paul E, Snow, Eric S
Published in Nano letters (11.08.2010)
Published in Nano letters (11.08.2010)
Get full text
Journal Article
The ReaxFF reactive force-field: development, applications and future directions
Senftle, Thomas P, Hong, Sungwook, Islam, Md Mahbubul, Kylasa, Sudhir B, Zheng, Yuanxia, Shin, Yun Kyung, Junkermeier, Chad, Engel-Herbert, Roman, Janik, Michael J, Aktulga, Hasan Metin, Verstraelen, Toon, Grama, Ananth, van Duin, Adri C T
Published in npj computational materials (04.03.2016)
Published in npj computational materials (04.03.2016)
Get full text
Journal Article
Adsorption of NH2 on Graphene in the Presence of Defects and Adsorbates
Junkermeier, Chad E, Solenov, Dmitry, Reinecke, Thomas L
Published in Journal of physical chemistry. C (14.02.2013)
Published in Journal of physical chemistry. C (14.02.2013)
Get full text
Journal Article
Covalent adsorption of functional groups on [N]-carbophenes
Junkermeier, Chad E, Psofogiannakis, George, Paupitz, Ricardo
Published in Materials research express (01.02.2022)
Published in Materials research express (01.02.2022)
Get full text
Journal Article
Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100)
Yeon, Jejoon, Adams, Heather L, Junkermeier, Chad E, van Duin, Adri C. T, Tysoe, Wilfred T, Martini, Ashlie
Published in The journal of physical chemistry. B (18.01.2018)
Published in The journal of physical chemistry. B (18.01.2018)
Get full text
Journal Article
Chemical Gradients on Graphene To Drive Droplet Motion
Hernández, Sandra C, Bennett, Charlee J. C, Junkermeier, Chad E, Tsoi, Stanislav D, Bezares, Francisco J, Stine, Rory, Robinson, Jeremy T, Lock, Evgeniya H, Boris, David R, Pate, Brian D, Caldwell, Joshua D, Reinecke, Thomas L, Sheehan, Paul E, Walton, Scott G
Published in ACS nano (25.06.2013)
Published in ACS nano (25.06.2013)
Get full text
Journal Article
Fullerenes generated from porous structures
Paupitz, Ricardo, Junkermeier, Chad E, van Duin, Adri C T, Branicio, Paulo S
Published in Physical chemistry chemical physics : PCCP (14.12.2014)
Published in Physical chemistry chemical physics : PCCP (14.12.2014)
Get full text
Journal Article
Density functional tight-binding derived data of gas capture in functionalized carbophenes
Junkermeier, Chad E., Kobebel, Jedediah, Lavarez, Kat, Adra, R. Martin, Yang, Jirui, Diaz, Valeria Aparicio, Paupitz, Ricardo, Psofogiannaki, George
Published in Data in brief (01.08.2024)
Published in Data in brief (01.08.2024)
Get full text
Journal Article
Engineering Graphene Mechanical Systems
Zalalutdinov, Maxim K, Robinson, Jeremy T, Junkermeier, Chad E, Culbertson, James C, Reinecke, Thomas L, Stine, Rory, Sheehan, Paul E, Houston, Brian H, Snow, Eric S
Published in Nano letters (08.08.2012)
Published in Nano letters (08.08.2012)
Get full text
Journal Article
N-Carbophenes: two-dimensional covalent organic frameworks derived from linear N-phenylenes
Junkermeier, Chad E, Luben, Jay Paul, Paupitz, Ricardo
Published in Materials research express (02.10.2019)
Published in Materials research express (02.10.2019)
Get full text
Journal Article
ReaxFF molecular dynamics simulations of intermediate species in dicyanamide anion and nitric acid hypergolic combustion
Weismiller, Michael R, Junkermeier, Chad E, Russo, Michael F, Salazar, Michael R, Bedrov, Dmitry, van Duin, Adri C T
Published in Modelling and simulation in materials science and engineering (01.10.2015)
Published in Modelling and simulation in materials science and engineering (01.10.2015)
Get full text
Journal Article
Structural transformations in chemically modified graphene
Robinson, Jeremy T., Zalalutdinov, Maxim K., Junkermeier, Chad E., Culbertson, James C., Reinecke, Thomas L., Stine, Rory, Sheehan, Paul E., Houston, Brian H., Snow, Eric S.
Published in Solid state communications (01.11.2012)
Published in Solid state communications (01.11.2012)
Get full text
Journal Article
AtomSim: web-deployed atomistic dynamics simulator
Keith, J. Brandon, Fennick, Jacob R., Nelson, Daniel R., Junkermeier, Chad E., Lin, Jiao Y. Y., Li, Chen W., McKerns, Michael M., Lewis, James P., Fultz, Brent
Published in Journal of applied crystallography (01.12.2010)
Published in Journal of applied crystallography (01.12.2010)
Get full text
Journal Article
Mechanical properties and deformation-driven band gap tuning on [N]-Carbophenes
Batista, Gabriel H., Psofogiannakis, George, Junkermeier, Chad E., Paupitz, Ricardo
Published in Computational materials science (05.04.2023)
Published in Computational materials science (05.04.2023)
Get full text
Journal Article
Covalent adsorption of functional groups on N-carbophenes
Junkermeier, Chad E, Psofogiannakis, George, Paupitz, Ricardo
Published in Materials research express (17.01.2022)
Published in Materials research express (17.01.2022)
Get full text
Journal Article
Functionalized carbophenes as high-capacity versatile gas adsorbents: An ab initio study
Junkermeier, Chad E., Larmand, Evan, Morais, Jean-Charles, Kobebel, Jedediah, Lavarez, Kat, Adra, R. Martin, Yang, Jirui, Diaz, Valeria Aparicio, Paupitz, Ricardo, Psofogiannakis, George
Published in Computational materials science (25.01.2024)
Published in Computational materials science (25.01.2024)
Get full text
Journal Article
Corrigendum to “Functionalized carbophenes as high-capacity versatile gas adsorbents: An ab initio study” [Comput. Mater. Sci. 232 (2023) 112665]
Junkermeier, Chad E., Larmand, Evan, Morais, Jean-Charles, Kobebel, Jedediah, Lavarez, Kat, Adra, R. Martin, Yang, Jirui, Diaz, Valeria Aparicio, Paupitz, Ricardo, Psofogiannakis, George
Published in Computational materials science (25.04.2024)
Published in Computational materials science (25.04.2024)
Get full text
Journal Article
Porous graphene and graphenylene nanotubes: Electronic structure and strain effects
Fabris, Guilherme S.L., Junkermeier, Chad E., Paupitz, Ricardo
Published in Computational materials science (01.12.2017)
Published in Computational materials science (01.12.2017)
Get full text
Journal Article
Tunable adsorbate-adsorbate interactions on graphene
Solenov, Dmitry, Junkermeier, Chad, Reinecke, Thomas L, Velizhanin, Kirill A
Published in Physical review letters (13.09.2013)
Published in Physical review letters (13.09.2013)
Get more information
Journal Article