Verfügbarkeit: Free-base and metalated porphyrins on metal surfaces

Free-base and metalated porphyrins on metal surfaces: a systematic X-ray spectroscopy and density functional theory investigation

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Bibliographische Detailangaben
Beteilige Person:	Diller, Katharina Johanna (VerfasserIn)
Format:	Hochschulschrift/Dissertation Buch
Sprache:	Englisch
Veröffentlicht:	2013
Schlagwörter:	Hochschulschrift
Links:	http://mediatum.ub.tum.de/node?id=1141378 https://nbn-resolving.org/urn:nbn:de:bvb:91-diss-20130430-1141378-0-4 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026041411&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Umfang:	IX, 192 S. Ill., graph. Darst.

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Datensatz im Suchindex

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adam_text	IMAGE 1 LIST OF FIGURES 1.1 OVERVIEW PORPHYRINS 2 1.2 ILLUSTRATION: PORPHYRIN ON SURFACE . 3 1.3 OVERVIEW OVER THE EXPERIMENTAL TECHNIQUES USED IN THIS THESIS . 4 2.1 (A) PHOTOELECTRIC EFFECT, (B) SCHEMATICS: XPS EXPERIMENT .... 8 2.2 (A) SHAKE-UP PROCESS, (B) SHAKE-OFF PROCESS, (C) AUGER DECAY . . 11 2.3 NEXAFS: PRINCIPLE 14 2.4 ANGULAR PARAMETERS IN NEXAFS 16 2.5 NEXAFS: POLARIZATION DEPENDENCE 17 2.6 BASIS SETS: STO, GTO, CGTO 25 3.1 UHV END STATION AT THE HE-SGM BEAMLINE AT BESSY II ... . 30 3.2 MOLECULE EVAPORATORS 33 3.3 XPS ANALYSIS: (A) SHIRLEY BACKGROUND, (B) LINEAR BACKGROUND . . 38 3.4 NEXAFS ANALYSIS 40 3.5 UNIT CELL FOR STACKING OF 2H-P MOLECULES 47 4.1 STRUCTURAL FORMULAS OF 2H-TPP/2H-P AND CU-TPP/CU-P .... 50 4.2 NOMENCLATURE OF ANGLES FOR DESCRIPTION OF ADSORPTION GEOMETRIES 51 4.3 SELF-METALATION OF 2H-TPP/CU(LLL): NLS XP SPECTRA 53 4.4 ANGLE-DEPENDENCE OF NLS XP SPECTRA 54 4.5 SELF-METALATION OF 2H-TPP/CU(LLL): NEXAFS SPECTRA 57 4.6 CALCULATED 2H-TPP AND CU-TPP NEXAFS SPECTRA 59 4.7 MOLECULAR ORBITALS OF 2H-TPP AND CU-TPP 64 4.8 2H-TPP MULTILAYER: ADSORPTION ANGLES 66 4.9 2H-TPP MONOLAYER: ADSORPTION ANGLES 68 4.10 ADSORPTION GEOMETRIES OF 2H-TPP AND CU-TPP/CU(LLL) .... 71 4.11 STM IMAGES OF PORPHINES ON CU(LLL) 75 4.12 2H-P/CU(LLL): NEAREST NEIGHBOR DISTRIBUTIONS 76 4.13 NLS XP SPECTRA OF 2H-P ON CU(LLL) 78 III HTTP://D-NB.INFO/1038775655 IMAGE 2 LIST OF FIGURES 4.14 2H-P/CU(LLL): XPS NLS DATA OF SUBMONOLAYER METALATION ... 80 4.15 2H-P/CU(LLL): ANGLE-DEPENDENCE OF XPS NIS DATA 82 4.16 ANGLE-RESOLVED N AND C K-EDGE NEXAFS SPECTRA OF 2H-P ... 84 4.17 SIMULATED C K-EDGE NEXAFS SPECTRA OF 2H-P AND CU-P .... 86 5.1 MOLECULES: 2H-TPP, 2H-TPP CD , RU 3 (CO) 12 AND RU-TPP CD ... 94 5.2 CLS AND NLS XP SPECTRA OF RU(CO)TPP DEPOSITED ON AG(LLL) . 95 5.3 NEXAFS C K-EDGE SPECTRA OF RU-TPP/AG(LLL) 97 5.4 XPS DATA OF AN ANNEALING SERIES OF RU3(CO)I2/ AG(LLL) 98 5.5 METALATION OF 2H-TPP/AG(LLL) WITH RU3(CO)I2 99 5.6 NEXAFS C K-EDGE DATA OF PARTIALLY METALATED SUBMONOLAYERS OF 2H-TPP AND 2H-P 101 5.7 METALATION OF 2H-TPP CD /AG(LLL) WITH RU3( CO ) I 2 102 5.8 METALATION OF 2H-P/AG(LLL) WITH RU3(CO)I2 104 6.1 CLS AND AU4F XPS SPECTRA OF [AU M (TPP)] + CL- 108 7.1 MODEL OF 2H-PORPHINE (2H-P) 112 7.2 XPS SIGNATURES OF 2H-P 114 7.3 INFLUENCE OF DATA SET CHOICE ON XPS SIGNATURES 115 7.4 NEXAFS C K-EDGE SIGNATURES OF 2H-P 117 7.5 NEXAFS N K-EDGE SIGNATURES OF 2H-P 118 7.6 FINAL STATE ORBITALS 120 7.7 LIMITED GROWTH OF 2H-P ON CU(LLL) AT RT 123 7.8 GROWTH OF 2H-P ON CU(LLL) 125 7.9 ROOM TEMPERATURE GROWTH OF 2H-P ON AG(LLL) 127 7.10 REORIENTATION OF 2H-P ON AG(LLL) AND CU(LLL) 130 7.11 HIGH RESOLUTION CARBON NEXAFS AND XPS DATA OF A 2H-P MUL TILAYER ON AG(LLL) 131 7.12 INFLUENCE OF FWHM VALUES ON THE SIMULATED SPECTRA 133 7.13 PHOTON ENERGY DEPENDENCE OF XPS CLS SPECTRA 134 7.14 PORPHINE DIMERS 136 7.15 XPS CALCULATIONS FOR PORPHINE DIMERS 140 7.16 XPS SPECTRA FOR DIFFERENT MOLECULE-MOLECULE DISTANCES 141 7.17 XPS C12P SPECTRA 143 7.18 SELF-METALATION OF DIFFERENTLY ORIENTED 2H-P LAYERS 146 7.19 SUMMARY OF THE GROWTH AND REORIENTATION OF 2H-P MULTILAYERS . 148 8.1 SUMMARY 151 A.L OPTIMIZED GEOMETRY: 2H-TPP 155 IV IMAGE 3 LIST OF FIGURES A.2 OPTIMIZED GEOMETRY: CU-TPP 156 A.3 OPTIMIZED GEOMETRY: 2H-P 157 A.4 OPTIMIZED GEOMETRY: CU-P 158 A.5 NEXAFS BACKGROUND SUBTRACTION 159 A.6 2H-P/AG(LLL): XPS BACKGROUND SUBTRACTION 160 V
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indexdate	2024-12-20T16:29:59Z
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language	English
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physical	IX, 192 S. Ill., graph. Darst.
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spellingShingle	Diller, Katharina Johanna Free-base and metalated porphyrins on metal surfaces a systematic X-ray spectroscopy and density functional theory investigation
subject_GND	(DE-588)4113937-9
title	Free-base and metalated porphyrins on metal surfaces a systematic X-ray spectroscopy and density functional theory investigation
title_auth	Free-base and metalated porphyrins on metal surfaces a systematic X-ray spectroscopy and density functional theory investigation
title_exact_search	Free-base and metalated porphyrins on metal surfaces a systematic X-ray spectroscopy and density functional theory investigation
title_full	Free-base and metalated porphyrins on metal surfaces a systematic X-ray spectroscopy and density functional theory investigation Katharina Johanna Diller
title_fullStr	Free-base and metalated porphyrins on metal surfaces a systematic X-ray spectroscopy and density functional theory investigation Katharina Johanna Diller
title_full_unstemmed	Free-base and metalated porphyrins on metal surfaces a systematic X-ray spectroscopy and density functional theory investigation Katharina Johanna Diller
title_short	Free-base and metalated porphyrins on metal surfaces
title_sort	free base and metalated porphyrins on metal surfaces a systematic x ray spectroscopy and density functional theory investigation
title_sub	a systematic X-ray spectroscopy and density functional theory investigation
topic_facet	Hochschulschrift
url	http://mediatum.ub.tum.de/node?id=1141378 https://nbn-resolving.org/urn:nbn:de:bvb:91-diss-20130430-1141378-0-4 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026041411&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
work_keys_str_mv	AT dillerkatharinajohanna freebaseandmetalatedporphyrinsonmetalsurfacesasystematicxrayspectroscopyanddensityfunctionaltheoryinvestigation

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