Theory of charge transport in carbon electronic materials:
Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Heidelberg [u.a.]
Springer
2012
|
| Schriftenreihe: | Springer briefs in molecular science
Chemistry |
| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | IX, 90 S. Ill., graph. Darst. |
| ISBN: | 3642250750 9783642250750 |
Internformat
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Datensatz im Suchindex
| _version_ | 1805146411742789632 |
|---|---|
| adam_text |
IMAGE 1
CONTENTS
1 INTRODUCTION 1
REFERENCES 4
2 HOPPING MECHANISM 7
2.1 GENERAL METHODOLOGY 8
2.1.1 MARCUS ELECTRON TRANSFER RATE 8
2.1.2 TRANSFER INTEGRAL 8
2.1.3 REORGANIZATION ENERGY 11
2.1.4 MOBILITY EVALUATION 12
2.2 APPLICATION I: SILOLES 14
2.2.1 COMPUTATIONAL DETAILS 14
2.2.2 RESULTS AND DISCUSSION 15
2.3 APPLICATION II: TRIPHENYLAMINE DIMERS 19
2.3.1 COMPUTATIONAL DETAILS 20
2.3.2 RESULTS AND DISCUSSION 20
2.4 APPLICATION III: OLIGOTHIOPHENES 23
2.4.1 COMPUTATIONAL DETAILS 24
2.4.2 RESULTS AND DISCUSSION 24
2.5 INCORPORATE NUCLEAR TUNNELING EFFECT IN THE HOPPING PICTURE . . 27
2.5.1 FERMI'S GOLD RULE 28
2.5.2 SHORT-TIME INTEGRATION IN FERMI'S GOLDEN RULE 30
2.5.3 FROM FERMI'S GOLDEN RULE TO MARCUS RATE 31
2.6 APPLICATION: OLIGOACENES 31
2.6.1 COMPUTATIONAL DETAILS 31
2.6.2 RESULTS AND DISCUSSION 32
2.7 INCORPORATE DYNAMIC DISORDER EFFECT IN THE HOPPING PICTURE . . 35
2.7.1 TWO-STEP APPROACH 35
2.7.2 MULTI-SCALE SIMULATION 35
2.8 APPLICATION: PENTACENE 36
2.8.1 COMPUTATIONAL DETAILS 36
BIBLIOGRAFISCHE INFORMATIONEN HTTP://D-NB.INFO/1016104006
DIGITALISIERT DURCH
IMAGE 2
VIII CONTENTS
2.8.2 RESULTS AND DISCUSSION 37
2.9 CONCLUSION 39
REFERENCES 40
3 POLARON MECHANISM 43
3.1 HOLSTEIN-PEIERLS MODEL 44
3.1.1 HOLSTEIN-PEIERLS HAMILTONIAN 44
3.1.2 POLARON TRANSFORMATION 44
3.1.3 SOME MAJOR APPROXIMATIONS 46
3.1.4 LINEAR RESPONSE THEORY 46
3.1.5 POLARON MOBILITY FORMULA 47
3.1.6 DECOMPOSITION OF MOBILITY CONTRIBUTIONS 48
3.1.7 DECOMPOSITION OF ELECTRON-PHONON COUPLING CONTRIBUTIONS 49
3.2 APPLICATION: NAPHTHALENE 49
3.2.1 COMPUTATIONAL DETAILS 50
3.2.2 RESULTS AND DISCUSSION 50
3.3 TEMPERATURE DEPENDENCE OF MOBILITY CONSIDERING THERMAL EXPANSION 57
3.3.1 THERMAL EXPANSION OF LATTICE CONSTANTS 58
3.3.2 TEMPERATURE DEPENDENCE OF MOBILITY WITH STRUCTURE FACTOR 59
3.4 PRESSURE DEPENDENCE OF MOBILITY 61
3.4.1 LATTICE COMPRESSION UNDER PRESSURE 61
3.4.2 PHONON FREQUENCY 62
3.4.3 TRANSFER INTEGRAL 62
3.4.4 ELECTRON-PHONON COUPLING 64
3.4.5 PRESSURE DEPENDENCE OF MOBILITY 65
3.5 CONCLUSIONS 65
REFERENCES 66
4 DEFORMATION POTENTIAL THEORY 67
4. 1 DEFORMATION POTENTIAL THEORY 68
4.1.1 STANDARD FORM OF BOLTZMANN TRANSPORT EQUATION 68 4.1.2 BOLTZMANN
TRANSPORT FUNCTION FOR CHARGE TRANSPORT 69
4.1.3 RELAXATION TIME APPROXIMATION 69
4.1.4 DEFORMATION POTENTIAL 70
4.1.5 MOBILITY FORMULA 71
4.1.6 EFFECTIVE MASS APPROXIMATION 72
4.1.7 NUMERICAL PARAMETERIZATION 73
4.2 APPLICATION: OLIGOACENES 73
4.2.1 COMPUTATIONAL DETAILS 74
4.2.2 RESULTS AND DISCUSSION 75
IMAGE 3
CONTENTS IX
4.3 APPLICATION: GRAPHENE 76
4.3.1 GRAPHENE SHEET 77
4.3.2 GRAPHENE NANORIBBON 79
4.4 APPLICATION: GRAPHDIYNE 81
4.4.1 GRAPHDIYNE SHEET 82
4.4.2 GRAPHDIYNE NANORIBBONS 85
4.5 CONCLUSIONS 87
REFERENCES 88
5 OUTLOOK 89
REFERENCES 90 |
| any_adam_object | 1 |
| author | Shuai, Zhigang Wang, Linjun Song, Chenchen |
| author_GND | (DE-588)18385070X (DE-588)1019233338 (DE-588)1019233478 |
| author_facet | Shuai, Zhigang Wang, Linjun Song, Chenchen |
| author_role | aut aut aut |
| author_sort | Shuai, Zhigang |
| author_variant | z s zs l w lw c s cs |
| building | Verbundindex |
| bvnumber | BV040024687 |
| classification_rvk | UP 3130 UP 3200 |
| ctrlnum | (OCoLC)796190753 (DE-599)DNB1016104006 |
| dewey-full | 537.6226 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 537 - Electricity and electronics |
| dewey-raw | 537.6226 |
| dewey-search | 537.6226 |
| dewey-sort | 3537.6226 |
| dewey-tens | 530 - Physics |
| discipline | Physik |
| format | Book |
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| spelling | Shuai, Zhigang Verfasser (DE-588)18385070X aut Theory of charge transport in carbon electronic materials Zhigang Shuai ; Linjun Wang ; Chenchen Song Heidelberg [u.a.] Springer 2012 IX, 90 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Springer briefs in molecular science Chemistry Ladungstransport (DE-588)4166400-0 gnd rswk-swf Organischer Halbleiter (DE-588)4172780-0 gnd rswk-swf Elektronentransport (DE-588)4014344-2 gnd rswk-swf Kohlenstoff (DE-588)4164538-8 gnd rswk-swf Organischer Halbleiter (DE-588)4172780-0 s Ladungstransport (DE-588)4166400-0 s DE-604 Kohlenstoff (DE-588)4164538-8 s 1\p DE-604 Elektronentransport (DE-588)4014344-2 s 2\p DE-604 Wang, Linjun Verfasser (DE-588)1019233338 aut Song, Chenchen Verfasser (DE-588)1019233478 aut Erscheint auch als Online-Ausgabe 978-3-642-25076-7 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=3896788&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024881709&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Shuai, Zhigang Wang, Linjun Song, Chenchen Theory of charge transport in carbon electronic materials Ladungstransport (DE-588)4166400-0 gnd Organischer Halbleiter (DE-588)4172780-0 gnd Elektronentransport (DE-588)4014344-2 gnd Kohlenstoff (DE-588)4164538-8 gnd |
| subject_GND | (DE-588)4166400-0 (DE-588)4172780-0 (DE-588)4014344-2 (DE-588)4164538-8 |
| title | Theory of charge transport in carbon electronic materials |
| title_auth | Theory of charge transport in carbon electronic materials |
| title_exact_search | Theory of charge transport in carbon electronic materials |
| title_full | Theory of charge transport in carbon electronic materials Zhigang Shuai ; Linjun Wang ; Chenchen Song |
| title_fullStr | Theory of charge transport in carbon electronic materials Zhigang Shuai ; Linjun Wang ; Chenchen Song |
| title_full_unstemmed | Theory of charge transport in carbon electronic materials Zhigang Shuai ; Linjun Wang ; Chenchen Song |
| title_short | Theory of charge transport in carbon electronic materials |
| title_sort | theory of charge transport in carbon electronic materials |
| topic | Ladungstransport (DE-588)4166400-0 gnd Organischer Halbleiter (DE-588)4172780-0 gnd Elektronentransport (DE-588)4014344-2 gnd Kohlenstoff (DE-588)4164538-8 gnd |
| topic_facet | Ladungstransport Organischer Halbleiter Elektronentransport Kohlenstoff |
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