Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Chad E Junkermeier"'
Publikováno v:
Materials Research Express, Vol 9, Iss 2, p 025602 (2022)
Starting from the planar molecule 1,3,5-trihydroxybenzene, Du et al reported synthesizing one of a couple of possible 2D materials: graphenylene or 3-carbophene [ 1 ]. 3-carbophene is a member of a novel class of two-dimensional covalent organic fram
Externí odkaz:
https://doaj.org/article/2ff9b1ba294c41ccb5cb861e399d7b63
Publikováno v:
Computational Materials Science. 222:112103
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::447c3e39aad0a9fe258f1ff80fba7b1b
https://doi.org/10.1016/j.commatsci.2023.112103
https://doi.org/10.1016/j.commatsci.2023.112103
Autor:
Peter Samora Owuor, Thierry Tsafack, Douglas S. Galvao, Benny Abraham Kaipparettu, Chandra Sekhar Tiwary, Jun Hyoung Park, H.H. Tsang, A. C. T. van Duin, Jun Lou, Mircea Chipara, Sruthi Radhakrishnan, M. Dubey, Gustavo Brunetto, P. M. Ajayan, Jejoon Yeon, Robert Vajtai, Chad E. Junkermeier, Somnath Bhowmick, S. A. Syed Asif, Alin Cristian Chipara
Publikováno v:
Materials Today Chemistry. 9:149-157
Instantaneous adhesion between different materials is a requirement for several applications ranging from electronics to biomedicine. Approaches such as surface patterning, chemical cross-linking, surface modification, and chemical synthesis have bee
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::11e4a99c88c86a2371b3b12889765271
https://doi.org/10.1016/j.mtchem.2018.07.002
https://doi.org/10.1016/j.mtchem.2018.07.002
Publikováno v:
Scopus
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
Made available in DSpace on 2018-12-11T16:49:20Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-12-01 Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8887cd59d3bc15122b4f912dd54262d1
https://doi.org/10.1016/j.commatsci.2017.09.009
https://doi.org/10.1016/j.commatsci.2017.09.009
Autor:
Chad E. Junkermeier, Jejoon Yeon, Wilfred T. Tysoe, Adri C. T. van Duin, Ashlie Martini, Heather Adams
Publikováno v:
The journal of physical chemistry. B. 122(2)
It has been shown that the rate of decomposition of methyl thiolate species on copper is accelerated by sliding on a methyl thiolate covered surface in ultrahigh vacuum at room temperature. The reaction produces small gas-phase hydrocarbons and depos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13e47c1eb8ac905b02bdc1890d949850
https://pubmed.ncbi.nlm.nih.gov/28981284
https://pubmed.ncbi.nlm.nih.gov/28981284
Publikováno v:
Scopus
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
N-Carbophene (carbophene) is a novel class of two-dimensional covalent organic frameworks (2DCOF), based on linear N-phenylenes, that have moderate band gaps and low-mobility bands surrounding the Fermi energy; the simplest of which may have been rec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ec1e0199905951f1482ada401b85d75
https://doi.org/10.1088/2053-1591/ab4513
https://doi.org/10.1088/2053-1591/ab4513
Autor:
Brian D. Pate, Joshua D. Caldwell, Stanislav Tsoi, Paul E. Sheehan, Charlee J C Bennett, Rory Stine, Chad E. Junkermeier, Jeremy T. Robinson, Evgeniya H. Lock, David R. Boris, Scott G. Walton, Francisco J. Bezares, Sandra C. Hernández, Thomas L. Reinecke
Publikováno v:
ACS Nano. 7:4746-4755
This work demonstrates the production of a well-controlled, chemical gradient on the surface of graphene. By inducing a gradient of oxygen functional groups, drops of water and dimethyl-methylphosphonate (a nerve agent simulant) are "pulled" in the d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::898d5d237f699dd6310cd6c7668cfa5e
https://doi.org/10.1021/nn304267b
https://doi.org/10.1021/nn304267b
Publikováno v:
The Journal of Physical Chemistry C. 117:2793-2798
Amine, NH2, is of interest as a linker between organic molecules and graphene in novel biotechnologies. We used ab initio electronic structure calculations to study NH2 adsorption on graphene in the presence of surface defects and other adsorbates, i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::840bcd37ba20fefeab1468c14804a690
https://doi.org/10.1021/jp309419x
https://doi.org/10.1021/jp309419x
Autor:
Roman Engel-Herbert, Yun Kyung Shin, Thomas P. Senftle, Mahbubul Islam, Adri C. T. van Duin, Sudhir B. Kylasa, Toon Verstraelen, Chad E. Junkermeier, Michael J. Janik, Sungwook Hong, Hasan Metin Aktulga, Y. X. Zheng, Ananth Grama
Publikováno v:
NPJ COMPUTATIONAL MATERIALS
The reactive force-field (ReaxFF) interatomic potential is a powerful computational tool for exploring, developing and optimizing material properties. Methods based on the principles of quantum mechanics (QM), while offering valuable theoretical guid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::984cab129aa5c226758bf582f42b4531
https://doi.org/10.1038/npjcompumats.2015.11
https://doi.org/10.1038/npjcompumats.2015.11
Autor:
James C. Culbertson, Brian H. Houston, Paul E. Sheehan, Rory Stine, Thomas L. Reinecke, Jeremy T. Robinson, Chad E. Junkermeier, Eric S. Snow, M. Zalalutdinov
Publikováno v:
Solid State Communications. 152:1990-1998
In this article, we review our efforts to continuously tune mechanical and thermal properties in multilayer chemically modified graphene (CMG) films. An alteration of the graphene lattice by functional groups, by defects created during reduction, or
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9504b8ee6054a3d78b60cafe9c2883df
https://doi.org/10.1016/j.ssc.2012.04.051
https://doi.org/10.1016/j.ssc.2012.04.051