Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Jacob Gavartin"'
Autor:
Alexander Goldberg, Thomas F. Hughes, David J. Giesen, Jacob Gavartin, Andrea R. Browning, Tsuguo Morisato, Mohammad Atif Faiz Afzal, Mathew D. Halls, Joseph E. Goose
Publikováno v:
ACS Applied Polymer Materials. 3:620-630
Recent advances in graphics processing unit (GPU) hardware and improved efficiencies of atomistic simulation programs allow for the screening of a large number of polymers to predict properties tha...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e2a18234230697f8c35beabbdfc6b5c
https://doi.org/10.1021/acsapm.0c00524
https://doi.org/10.1021/acsapm.0c00524
Autor:
ThomasF. Hughes, Jacob Gavartin, Alexander Goldberg, Andrea R. Browning, David J. Giesen, Mohammad Atif Faiz Afzal, MathewD. Halls, Joseph E. Goose, Tsuguo Morisato
Recent advances in graphics-processing-unit (GPU) hardware and improved efficiencies of atomistic simulation programs allow the screening of a large number of polymers to predict properties that require running and analyzing long Molecular Dynamics (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4bfcf4f0fc78104c5dfe3249da876164
https://doi.org/10.26434/chemrxiv.12250229.v2
https://doi.org/10.26434/chemrxiv.12250229.v2
Autor:
Sonia Garcia Lopez, Samuel A. French, Sarah C. Ball, Misbah Sarwar, David Thompsett, Jacob Gavartin, Arek Krzystala, Gerhard Goldbeck, Alex Martinez Bonastre
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(10)
We employ a combined density functional theory (DFT) and experimental approach to screen different elements (M) and Pt3M alloys (M = Sc, Y, V, Nb, Ta, Ti, Zr, Hf, Cr, Fe, Ru, Os, Co, Rh, Ir, Ni, Pd, Cu, Ag, Au and Al) for oxygen reduction reaction (O
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac3ccf661598bd9557c076dc73b15ca1
https://pubmed.ncbi.nlm.nih.gov/32109268
https://pubmed.ncbi.nlm.nih.gov/32109268
Autor:
Hyunwook Kwak, Thomas J. L. Mustard, Tsuguo Morisato, Alexander Goldberg, Daisuke Yoshidome, Mathew D. Halls, Jacob Gavartin
Publikováno v:
Journal of the Korean Ceramic Society. 53:317-324
Continued miniaturization and increasingly exact requirements for thin film deposition in the semiconductor industry is driving the search for new effective, efficient, selective precursors and processes. The requirements of defect-free, conformal fi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f2dda1cf27863140c3f95f085e7b0df4
https://doi.org/10.4191/kcers.2016.53.3.317
https://doi.org/10.4191/kcers.2016.53.3.317
Autor:
Thomas F. Hughes, Alexander Goldberg, Jacob Gavartin, David J. Giesen, Mathew D. Halls, Yixiang Cao, H. Shaun Kwak, Steve Dixon
Publikováno v:
SPIE Proceedings.
Design and development of highly efficient organic and organometallic dopants is one of the central challenges in the organic light-emitting diodes (OLEDs) technology. Recent advances in the computational materials science have made it possible to ap
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ba79428a15221a68a2521a222891685
https://doi.org/10.1117/12.2237951
https://doi.org/10.1117/12.2237951
Autor:
David J. Giesen, Yixiang Cao, Thomas J. L. Mustard, Jacob Gavartin, H. Shaun Kwak, Thomas F. Hughes, Alexander Goldberg, Mathew D. Halls
Publikováno v:
SPIE Proceedings.
Organic light-emitting diode (OLED) devices are under widespread investigation to displace or complement inorganic optoelectronic devices for solid-state lighting and active displays. The materials in these devices are selected or designed according
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::39bd6443e242e1a1f2d41d818ecc038b
https://doi.org/10.1117/12.2237940
https://doi.org/10.1117/12.2237940
Autor:
Dimitrios Papageorgopoulos, Jacob Gavartin, Sonia Garcia, Gerhard Goldbeck-Wood, Dan L. Ormsby, Sam French, Amity Andersen, Arek Krzystala, David Thompsett, Misbah Sarwar, Alexander Perlov, David S. D. Gunn
Publikováno v:
ECS Transactions. 25:1335-1344
The high throughput calculation methodology and plane wave density functional theory is applied to simultaneously assess surface stability of Pt3Co, Pd3Co and Pt3Ag alloys and their catalytic activity with respect to oxygen reduction reaction (ORR).
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d1d8bd4de6056db38d20125cb9fec55
https://doi.org/10.1149/1.3210689
https://doi.org/10.1149/1.3210689
Autor:
H. V. Alberto, Daniel Vanmaekelbergh, Jacob Gavartin, J. Piroto Duarte, James S. Lord, Peter Liljeroth, S. F. J. Cox, Arjan J. Houtepen, N. Ayres de Campos, R. C. Vilão, João Gil
Publikováno v:
Physica B: Condensed Matter. 404:837-840
The effect of quantum confinement on shallow-donor muonium states and their ionization in nanocrystalline colloidal II–VI semiconductors was studied by the transverse- and longitudinal-field μSR techniques. Evidence is found for the formation of s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9520cef17280dc05d3b9a3ef47805ee9
https://doi.org/10.1016/j.physb.2008.11.158
https://doi.org/10.1016/j.physb.2008.11.158
Publikováno v:
Microelectronic Engineering. 84:2362-2365
We predict, by means of ab initio calculations, the existence of electron and hole polaron states in m-HfO"2. Holes were found to self-trap on 3- and 4- coordinated oxygen ions while electron polaron is localized over three neighboring Hf atoms. We c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21408fba418d2f35aa39f124d1266b27
https://doi.org/10.1016/j.mee.2007.04.001
https://doi.org/10.1016/j.mee.2007.04.001
Autor:
Jacob Gavartin, Alexander L. Shluger
Publikováno v:
Microelectronic Engineering. 84:2412-2415
We present ab inito calculations of a realistic HfO"2/SiO"2/Si interface and discuss its structural and electronic properties. Calculations reveal a variety of possible non-epitaxial atomic arrangements at the interface, associated with a substantial
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1fffa6b7537a73a18c3d15f3dbf4e663
https://doi.org/10.1016/j.mee.2007.04.102
https://doi.org/10.1016/j.mee.2007.04.102