Rules of molecular self-organization [Elektronische Ressource] : emergence, control and predictability / Carsten Rohr. Betreuer: Joachim Rädler

Carsten L. Rohr

Sujets

• Physik

Informations

• Publié par: ludwig-maximilians-universitat_munchen
• Publié le: 01 janvier 2011
• Nombre de lectures: 14
• Poids de l'ouvrage: 8 Mo

Extrait

Rulesfolecularelfrganization:
Emergence,ontrolndredictability





Carsten.ohr
München011






Rulesfolecularelfrganization:
Emergence,ontrolndredictability



Dissertation
amehrstuhlürxperimetalphysik
Prof...ädler
Fakultätürhysik
Ludwigaximiliansniversitätünchen


Carsten.ohr
Juni011

















Betreuer:r..ermann
Erstgutachter:rof.r.oachim.ädler
Zweitgutachter:Dr.arkusackinger
Datumerrüfung:5.6.2011

Contents
ZUSAMMENFASSUNG III
ABSTRACT V
1 INTRODUCTION 1
1.1 MISSINGULESNDREDICTABILITY1
1.2 AIMSFHE THESIS3
1.3 STRUCTUREFHE THESIS4
2 SELFRGANIZATION 5
2.1 CONCEPT5
2.2 MOLECULARSELFO RGANIZATION6
3 SCANNINGUNNELINGICROSCOPY 9
3.1 SCANNINGTUNNELINGMICROSCOPY9
3.2 TUNNELTHEORY13
3.3 TUNNELINGHROUGHOLECULARDLAYERS7
3.4 SUBSTRATES9
3.5 SOLUTIONCASTING20
3.6 IMAGEROCESSING2
4 MOLECULARYSTEMS5
4.1 SUPRAMOLECULARCHEMISTRY5
4.2 FRÉCHETD ENDRONS6
5 COMPLEXNERGYANDSCAPES 29
5.1 ENERGYLANDSCAPES29
5.2 METASTABLESTATES30
5.3 PHASETRANSFORMATIONS1
5.4 EMERGENCE

Contents
6 COMPUTATIONALOOLS 33
6.1 FORCEIELDSIN MOLECULARMECHANICSSIMULATIONS34
6.2 DENSITYFUNCTIONALTHEORYSIMULATIONS5
6.3 INTERACTIONS ITEMODELN MONTEC ARLOSIMULATIONS8
7 CONCEPTSOFELFRGANIZEDOLECULES 41
7.1 2DSYMMETRYGROUPS41
7.2 CHIRALITY
7.3 HIERARCHICALORGANIZATION6
8 SUMMARIESFUBLICATIONS 49
9 PUBLICATIONS 55
9.1 SIZEMATTERSIN OSTWALD´SRULEF STAGES:MULTIPHASETRANSFORMATIONSCAUSEDY
STRUCTURALCOMPLEXITY55
9.2 MOLECULARJIGSAW:PATTERNDIVERSITYENCODEDY ELEMENTARYGEOMETRICAL
FEATURES9
9.3 MOLECULARSELFO RGANIZATION:PREDICTINGHE PATTERNDIVERSITYND LOWEST
ENERGYSTATEF COMPETINGORDERINGMOTIFS67
9.4 PREDICTINGHE INFLUENCEF P2S YMMETRICSUBSTRATEN MOLECULARSELF
ORGANIZATIONITHN INTERACTIONS ITEMODEL75
9.5 SIMULATINGPATTERNSOR MOLECULARSELFO RGANIZATIONN SURFACESUSING
INTERACTIONS ITEMODELS91
9.6 MULTIH IERARCHICALASSEMBLYIA MOLECULARFLEXIBILITY 101
9.7 SURFACECONTROLF CHIRALITY,ORIENTATIONND HIERARCHICALASSEMBLYF SELF
ORGANIZEDMONOLAYERS 109
9.8 AVERSATILEFRÉCHETD ENDRONCOMPOUNDUNIFIESHOSTG UESTND TEMPLATED
HETEROGENEOUSSELFA SSEMBLY 115
10 PERSPECTIVES 125
10.1 FROMPREDICTIONND COMPLEXITYN SELFO RGANIZATION 125
10.2 TOWARDSDESIGNND FUNCTIONALITY 127
REFERENCES 129
APPENDIX 141
A BOOKCHAPTER:DIESUCHENACHEMIEFSTEN TAL:SELBSTORGANISATIONON
MOLEKÜLENNESCHLOSSENEN SYSTEMEN 141
B ORGANICUPERCONDUCTORSEVISITED 165
ACKNOWLEDGMENTS 173










Zusammenfassung
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