Fundamental processes in single molecule junctions: interplay of forces and electronic effects
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| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
2013
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| Subjects: | |
| Online Access: | Volltext Inhaltsverzeichnis |
| Item Description: | Nebentitel: Grundlegende Prozesse in Einzel-Molekül-Kontakten |
| Physical Description: | VI, 115 S. Ill., graph. Darst. |
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| 245 | 1 | 0 | |a Fundamental processes in single molecule junctions |b interplay of forces and electronic effects |c Christian Lotze |
| 246 | 1 | 3 | |a Grundlegende Prozesse in Einzel-Molekül-Kontakten |
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| 500 | |a Nebentitel: Grundlegende Prozesse in Einzel-Molekül-Kontakten | ||
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Record in the Search Index
| _version_ | 1804152137263874048 |
|---|---|
| adam_text | CONTENTS
INTRODUCTION 1
1. THEORY AND EXPERIMENTAL SETUP 4
1.1. SCANNING TUNNELING MICROSCOPY 5
1.1.1. TUNNELING THEORY 5
1.1.2. STS: TUNNELING SPECTROSCOPY 7
1.2. DYNAMIC ATOMIC FORCE MICROSCOPY 8
1.2.1. THE AFM: A HARMONIC OSCILLATOR 9
1.2.2. OSCILLATOR IN A FORCE FIELD: FORCE SPECTROSCOPY 10
1.2.3. DISSIPATION IN ATOMIC FORCE MICROSCOPY 11
1.2.4. FORCES IN ATOMIC FORCE MICROSCOPY 12
1.2.5. KELVIN PROBE FORCE MICROSCOPY 14
1.2.6. LOCAL CONTACT POTENTIAL DIFFERENCE 15
1.2.7. FROM ELECTROSTATIC POTENTIAL TO WORK FUNCTION 17
1.3. EXPERIMENTAL SETUP 19
1.3.1. UHV CHAMBER 19
1.3.2. LT SPM HEAD 21
1.3.3. STM/AFM WIRING, SCHEMATIC DIAGRAM AND SIGNAL FILTERING 22
1.3.4. TUNING FORK SENSOR CONSTRUCTION 23
1.3.5. SUBSTRATES AND PREPARATION METHODS 26
2. ELECTRON TRANSPORT PROPERTIES OF MOLECULAR CONFORMATIONS CORRELATED
WITH
THE MOLECULAR STIFFNESS 27
2.1. BPEB ON CU(110) 27
2.2. CONDUCTANCE OF A BPEB MOLECULAR WIRE 28
2.2.1. ATYPICAL CONDUCTANCE INCREASE 29
2.3. SIMULATION OF A BPEB MOLECULAR WIRE LIFTING PROCESS 31
2.3.1. STRUCTURAL CHANGES REVEALED BY FORCE FIELD SIMULATIONS 31
2.3.2. LIFTING SIMULATION BY DFT: CONDUCTANCE AND STRUCTURE 32
2.4. MEASURING THE STIFFNESS OF A BPEB MOLECULAR WIRE 35
2.4.1. EVALUATION OF THE
SP
2
BINDING ENERGY 38
2.4.2. ENERGY ANALYSIS FROM SIMULATIONS 40
2.5. CONCLUSION AND OUTLOOK 41
3. DRIVING A MACROSCOPIC OSCILLATOR WITH THE STOCHASTIC MOTION OF A H
2
MOLECULE 43
3.1. H
2
MOLECULAR TWO LEVEL FLUCTUATIONS ON CU(LLL) 44
HTTP://D-NB.INFO/1052202748
VI
CONTENTS
3.1.1. THE FORCE OF A HYDROGEN MOLECULE 46
3.1.2. DISTANCE DEPENDENCE OF H
2
MOLECULAR TLFS 47
3.1.3. EFFECT OF TLFS ON THE DISSIPATION 47
3.1.4. SELF OSCILLATION OF A MACROSCOPIC OSCILLATOR 49
3.2. THEORETICAL MODELING AND INTERPRETATION OF THE SELF OSCILLATION 50
3.2.1. STOCHASTIC RESONANCE AND SELF-OSCILLATIONS 51
3.3. CONCLUSION AND OUTLOOK 53
4. (DIS)CHARGING OF CHARGE TRANSFER COMPLEXES INVESTIGATED BY NC-AFM 55
4.1. GATING THE CHARGE STATE OF SINGLE MOLECULES BY LOCAL ELECTRIC
FIELDS .... 57
4.2. TMTTF-TCNQ (DIS)CHARGING INVESTIGATED BY DYNAMIC AFM 58
4.2.1. SPECTROSCOPIC IMAGING OF TCNQ MOLECULES 59
4.2.2. CORRELATION OF DISCHARGING FEATURES IN CONDUCTANCE AND FREQUENCY
SHIFT SPECTRA 60
4.2.3. IDENTIFICATION OF THE CHARGE STATE BY AFM 61
4.2.4. ORIGIN AND QUANTIFICATION OF THE DISCHARGING FORCE 62
4.2.5. INVESTIGATION OF DISSIPATION EFFECTS UPON DYNAMIC DISCHARGING OF
TCNQ- 65
4.3. EVOLUTION OF THE DISCHARGING PROCESS UPON DISCHARGING OF NEIGHBOR-
MOLECULES 68
4.3.1. GATING THE CHARGE STATE THROUGH CHARGING OF A NEIGHBORING
MOLECULE 70
4.4. CONCLUSION AND OUTLOOK 72
5. CHARGE LOCALIZATION IN A ZWITTERIONIC MOLECULE BY NC-AFM 74
5.1. LOCALIZING CHARGES IN A ZWITTERIONIC MC MOLECULE 77
5.1.1.
LCPD
MAPS OF MC ON AU(LLL) 80
5.1.2. DENSITY FUNCTIONAL THEORY CALCULATIONS OF FREE MC DIMER
STRUCTURES 82
5.2.
LCPD
CONTRAST INVERSION 83
5.2.1.
LCPD
PROFILES: LATERAL AND VERTICAL EVOLUTION OF THE ELECTROSTATIC
POTENTIAL ALONG A MC DIMER 85
5.2.2. CORRELATION BETWEEN TIP-MOLECULE DISTANCE AND
LCPD
CONTRAST
INVERSION 88
5.2.3. A SIMPLE ELECTROSTATIC MODEL 92
5.3. CONCLUSION AND OUTLOOK 93
6. SUMMARY 96
A. MODELLING BY MM3 FORCE FIELD CALCULATIONS 98
B. NONLINEARITY OF A MOLECULAR H
2
JUNCTION 100
LIST OF ABBREVIATIONS 102
REFERENCES 103
|
| any_adam_object | 1 |
| author | Lotze, Christian |
| author_GND | (DE-588)1050204808 |
| author_facet | Lotze, Christian |
| author_role | aut |
| author_sort | Lotze, Christian |
| author_variant | c l cl |
| building | Verbundindex |
| bvnumber | BV041811546 |
| collection | ebook |
| ctrlnum | (OCoLC)891568685 (DE-599)BVBBV041811546 |
| dewey-full | 539.6 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 539 - Modern physics |
| dewey-raw | 539.6 |
| dewey-search | 539.6 |
| dewey-sort | 3539.6 |
| dewey-tens | 530 - Physics |
| discipline | Physik |
| format | Thesis Book |
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| indexdate | 2024-07-10T01:05:56Z |
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| language | English |
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| spelling | Lotze, Christian Verfasser (DE-588)1050204808 aut Fundamental processes in single molecule junctions interplay of forces and electronic effects Christian Lotze Grundlegende Prozesse in Einzel-Molekül-Kontakten 2013 VI, 115 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Nebentitel: Grundlegende Prozesse in Einzel-Molekül-Kontakten Berlin, Freie Univ., Diss., 2013 (DE-588)4113937-9 Hochschulschrift gnd-content http://www.diss.fu-berlin.de/diss/receive/FUDISS_thesis_000000096508 kostenfrei Volltext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027256887&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Lotze, Christian Fundamental processes in single molecule junctions interplay of forces and electronic effects |
| subject_GND | (DE-588)4113937-9 |
| title | Fundamental processes in single molecule junctions interplay of forces and electronic effects |
| title_alt | Grundlegende Prozesse in Einzel-Molekül-Kontakten |
| title_auth | Fundamental processes in single molecule junctions interplay of forces and electronic effects |
| title_exact_search | Fundamental processes in single molecule junctions interplay of forces and electronic effects |
| title_full | Fundamental processes in single molecule junctions interplay of forces and electronic effects Christian Lotze |
| title_fullStr | Fundamental processes in single molecule junctions interplay of forces and electronic effects Christian Lotze |
| title_full_unstemmed | Fundamental processes in single molecule junctions interplay of forces and electronic effects Christian Lotze |
| title_short | Fundamental processes in single molecule junctions |
| title_sort | fundamental processes in single molecule junctions interplay of forces and electronic effects |
| title_sub | interplay of forces and electronic effects |
| topic_facet | Hochschulschrift |
| url | http://www.diss.fu-berlin.de/diss/receive/FUDISS_thesis_000000096508 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027256887&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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