Theory of electron scattering for chemical lithography
Project goals
Development of computational methods and their applications to vibrational excitation, dissociative attachment and associative detachment of molecules by an electron impact in processes that of interest to chemical lithography, i.e., in printing chemicaland physical properties on surfaces, fabrication of molecular circuits and molecular machines. The ability to understand, manipulate and control chemical reactions at the molecular level is one of the great challenges of modern research. In electron beam experiments it has been established that such "single molecule engineering" can be achieved by a low-energy electron impact. The aim of this project is to contribute to this development by a deeper understanding of electron-molecule collisions by theoretical methods.
Keywords
Electron controlled chemistryelectron-molecule interactionstheory of electron scatteringresonancesvibrational excitation and dissociation of molecules by electron impact
Public support
Provider
Ministry of Education, Youth and Sports
Programme
COST
Call for proposals
COST 7 (SMSM2009OC4)
Main participants
—
Contest type
VS - Public tender
Contract ID
1147/2010-32
Alternative language
Project name in Czech
Teorie elektronového rozptylu pro potřeby chemické lithografie
Annotation in Czech
Vypracování výpočtových metod a provedení výpočtů pro vibrační excitaci, disociaci a ionizaci molekul nárazem elektronu v procesech, které jsou důležité pro chemickou lithografii a inovaci technologických aplikací.
Scientific branches
R&D category
ZV - Basic research
CEP classification - main branch
CF - Physical chemistry and theoretical chemistry
CEP - secondary branch
BE - Theoretical physics
CEP - another secondary branch
—
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
10403 - Physical chemistry
Completed project evaluation
Provider evaluation
V - Vynikající výsledky projektu (s mezinárodním významem atd.)
Project results evaluation
A new nonlocal resonance model for HCl molecule was constructed. A method was developed fro calculation of resonance energies and widths applicable also to polyatomic molecules. A computational method was developed for ab initio calculations of theoretical vibrational EELS spectra for larger molecules than it was possible so far. The results were published in important international journals.
Solution timeline
Realization period - beginning
Apr 1, 2009
Realization period - end
Nov 30, 2011
Project status
U - Finished project
Latest support payment
Mar 2, 2011
Data delivery to CEP
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data delivery code
CEP12-MSM-OC-U/01:1
Data delivery date
Jul 12, 2012
Finance
Total approved costs
1,250 thou. CZK
Public financial support
1,250 thou. CZK
Other public sources
0 thou. CZK
Non public and foreign sources
0 thou. CZK
Recognised costs
1 250 CZK thou.
Public support
1 250 CZK thou.
0%
Provider
Ministry of Education, Youth and Sports
CEP
CF - Physical chemistry and theoretical chemistry
Solution period
01. 04. 2009 - 30. 11. 2011