Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Patrick Theofanis"'
Autor:
Michael Nolan, Charles Mokhtarzadeh, Suresh Kondati Natarajan, Scott B. Clendenning, Patrick Theofanis
Publikováno v:
ACS Applied Materials & Interfaces
Thermal atomic layer etch (ALE) of W metal can be achieved by sequential self-limiting oxidation and chlorination reactions at elevated temperatures. In this paper, we analyze the reaction mechanisms of W ALE using the first-principles simulation. We
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::513c3cb153575f7e59338c0d161ccade
https://doi.org/10.1021/acsami.0c06628
https://doi.org/10.1021/acsami.0c06628
Publikováno v:
Extreme Ultraviolet (EUV) Lithography XI.
Despite years of research and development, the fundamental processes of photoionization, secondary electron generation, recombination, diffusion, and resist switching are poorly understood at the atomic level for EUVL. Multiscale modeling of these ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fabfd34328ad80c36f6244fdfc655671
https://doi.org/10.1117/12.2552837
https://doi.org/10.1117/12.2552837
Autor:
Glenn H. Fredrickson, Karl K. Berggren, Corinne Carpenter, Patrick Theofanis, Samuel M. Nicaise, Kris T. Delaney, David Shykind
Publikováno v:
Macromolecules. 50:8258-8266
We present a combination of self-consistent field theory simulations and experimental results to explore the mechanism behind the orientational preference of second-layer cylinders in nanomeshes formed by two consecutive steps of the self-assembly of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45eaa209f042773ca7f1c7c8c8821546
https://doi.org/10.1021/acs.macromol.7b01290
https://doi.org/10.1021/acs.macromol.7b01290
Autor:
Suresh Kondati Natarajan, Michael Nolan, Charles Mokhtarzadeh, Scott B. Clendenning, Patrick Theofanis
Publikováno v:
Journal of Vacuum Science & Technology A. 39:022603
Published under license by AVS. Thermal atomic layer etch (ALE), facilitating the removal of up to one monolayer of material per cycle, is growing in importance for thin-film processing. The number of available ALE processes is much smaller than for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::daee6446459bb09a18df331d5e509390
https://doi.org/10.1116/6.0000804
https://doi.org/10.1116/6.0000804
Publikováno v:
Mechanics of Materials. 90:243-252
Modeling non-adiabatic phenomena and materials at extremes has been a long-standing challenge for computational chemistry and materials science, particularly for systems that undergo irreversible phase transformations due to significant electronic ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a154181668a8f90052167873fdccd97
https://doi.org/10.1016/j.mechmat.2015.02.008
https://doi.org/10.1016/j.mechmat.2015.02.008
Publikováno v:
Journal of Vacuum Science & Technology A. 36:061507
Novel insight into the mechanisms that govern nucleation during tungsten atomic layer deposition is presented through a detailed analysis using density functional theory. Using the calculated energetics, the authors suggest the most probable series o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::463909f7fd727b11fe5987bae14039a0
https://doi.org/10.1116/1.5044740
https://doi.org/10.1116/1.5044740
Autor:
Thomas R. Mattsson, William A. Goddard, Aidan P. Thompson, Patrick Theofanis, Andres Jaramillo-Botero
Publikováno v:
Physical Review B. 85
Electron force field (eFF) wave-packet molecular-dynamics simulations of the single shock Hugoniot are reported for a crystalline polyethylene (PE) model. The eFF results are in good agreement with previous density-functional theories and experimenta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4002f7ffe071cb96ca6e772aa00e036d
https://doi.org/10.1103/physrevb.85.094109
https://doi.org/10.1103/physrevb.85.094109
Autor:
William A. Goddard, Patrick Theofanis
Using density functional theory, we investigated detailed aspects of the quintessential organometallic process, β-hydride elimination (BHE). In general, we find that most BHE processes from alkyl functional group β-atoms are facile, while BHE proce
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::057f88f947ddad1285c0247276a3e8dd
https://resolver.caltech.edu/CaltechAUTHORS:20111108-105555602
https://resolver.caltech.edu/CaltechAUTHORS:20111108-105555602
Publikováno v:
Physical review letters. 108(4)
It has long been observed that brittle fracture of materials can lead to emission of high energy electrons and UV photons, but an atomistic description of the origin of such processes has lacked. We report here on simulations using a first-principles
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fda079261375fb3a88dda5aef348023c
https://pubmed.ncbi.nlm.nih.gov/22400860
https://pubmed.ncbi.nlm.nih.gov/22400860