Implications of the edge states for the band structure of armchair graphene nanoribbons
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Graphene research and applications · 2D Materials and Applications · Quantum Dots Synthesis And Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (100+)
Show source-provided references
1. Cai J, Ruffieux P, Jaafar R, Bieri M, Braun T, Blankenburg S, Muoth M, Seitsonen AP, Saleh M, Feng X, Müllen K, Fasel R (2010) Atomically precise bottom-up fabrication of graphene nanoribbons. Nature 466:470–473. https://doi.org/10.1038/nature0921110.1038/nature09211 ↗
2. Ruffieux P, Cai J, Plumb NC, Patthey L, Prezzi D, Ferretti A, Molinari E, Feng X, Müllen K, Pignedoli CA, Fasel R (2012) Electronic structure of atomically precise graphene nanoribbons. ACS Nano 6:6930–6935. https://doi.org/10.1021/nn302137610.1021/nn3021376 ↗
3. Kim W, Kim KS (2008) Prediction of very large values of magnetoresistance in a graphene nanoribbon device. Nat Nanotech 3:408–412. https://doi.org/10.1038/nnano.2008.16310.1038/nnano.2008.163 ↗
4. Denk R, Hohage M, Zeppenfeld P, Cai J, Pignedoli CA, Söde H, Fasel R, Feng X, Müllen K, Wang S, Prezzi D, Ferretti A, Ruini A, Molinari E, Ruffieux P (2014) Exciton-dominated optical response of ultra-narrow graphene nanoribbons. Nat Commun 5:4253. https://doi.org/10.1038/ncomms525310.1038/ncomms5253 ↗
5. Söde H, Talirz L, Gröning O, Pignedoli CA, Berger R, Feng X, Müllen K, Fasel R, Ruffieux P (2015) Electronic band dispersion of graphene nanoribbons via fourier-transformed scanning tunneling spectroscopy. Phys Rev B 91:045429. https://doi.org/10.1103/PhysRevB.91.04542910.1103/PhysRevB.91.045429 ↗
6. Vergés JA, Chiappe G, Louis E (2015) On the forbidden gap of finite graphene nanoribbons. Eur Phys J B 88:200. https://doi.org/10.1140/epjb/e2015-60389-510.1140/epjb/e2015-60389-5 ↗
7. Llinas JP, Fairbrother A, Barin GB, Shi W, Lee K, Wu S, Choi BY, Braganza R, Lear J, Kau N, Choi W, Chen C, Pedramrazi Z, Dumslaff T, Narita A, Feng X, Müllen K, Fischer F, Zettl A, Ruffieux P, Yablonovitch E, Crommie M, Fasel R, Bokor J (2017) Short-channel field-effect transistors with 9-atom and 13-atom wide graphene nanoribbons. Nat Commun 8:633. https://doi.org/10.1038/s41467-017-00734-x10.1038/s41467-017-00734-x ↗
8. Borin Barin G, Fairbrother A, Rotach L, Bayle M, Paillet M, Liang L, Meunier V, Hauert R, Dumslaff T, Narita A, Müllen K, Sahabudeen H, Berger R, Feng X, Fasel R, Ruffieux P (2019) Surface-synthesized graphene nanoribbons for room temperature switching devices: substrate transfer and ex situ characterization. ACS Appl Nano Mater 2:2184–2192. https://doi.org/10.1021/acsanm.9b0015110.1021/acsanm.9b00151 ↗
9. Liu Z, Chen Z, Wang C, Wang HI, Wuttke M, Wang X-Y, Bonn M, Chi L, Narita A, Müllen K (2020) Bottom-up, on-surface-synthesized armchair graphene nanoribbons for ultra-high-power micro-supercapacitors. J Am Chem Soc 142:17881–17886. https://doi.org/10.1021/jacs.0c0610910.1021/jacs.0c06109 ↗
10. Liu Z, Fu S, Liu X, Narita A, Samorì P, Bonn M, Wang HI (2022) Small size, big impact: recent progress in bottom-up synthesized nanographenes for optoelectronic and energy applications. Adv Sci 9:2106055. https://doi.org/10.1002/advs.20210605510.1002/advs.202106055 ↗
11. Yang L, Park C-H, Son Y-W, Cohen ML, Louie SG (2007) Quasiparticle energies and band gaps in graphene nanoribbons. Phys Rev Lett 99:186801. https://doi.org/10.1103/PhysRevLett.99.18680110.1103/PhysRevLett.99.186801 ↗
12. Chen Y-C, Oteyza DG, Pedramrazi Z, Chen C, Fischer FR, Crommie MF (2013) Tuning the band gap of graphene nanoribbons synthesized from molecular precursors. ACS Nano 7:6123–6128. https://doi.org/10.1021/nn401948e10.1021/nn401948e ↗
13. Yamaguchi J, Hayashi H, Jippo H, Shiotari A, Ohtomo M, Sakakura M, Hieda N, Aratani N, Ohfuchi M, Sugimoto Y, Yamada H, Sato S (2020) Small bandgap in atomically precise 17-atom-wide armchair-edged graphene nanoribbons. Commun Mat 1:36. https://doi.org/10.1038/s43246-020-0039-910.1038/s43246-020-0039-9 ↗
14. Golor M, Koop C, Lang TC, Wessel S, Schmidt MJ (2013) Magnetic correlations in short and narrow graphene armchair nanoribbons. Phys Rev Lett 111:085504. https://doi.org/10.1103/PhysRevLett.111.08550410.1103/PhysRevLett.111.085504 ↗
15. Wang S, Talirz L, Pignedoli CA, Feng X, Müllen K, Fasel R, Ruffieux P (2016) Giant edge state splitting at atomically precise graphene zigzag edges. Nat Commun 7:11507. https://doi.org/10.1038/ncomms1150710.1038/ncomms11507 ↗
16. Kolmer M, Steiner A-K, Izydorczyk I, Ko W, Engelund M, Szymonski M, Li A-P, Amsharov K (2020) Rational synthesis of atomically precise graphene nanoribbons directly on metal oxide surfaces. Science 369:571–575. https://doi.org/10.1126/science.abb888010.1126/science.abb8880 ↗
17. Linden S, Zhong D, Timmer A, Aghdassi N, Franke JH, Zhang H, Feng X, Müllen K, Fuchs H, Chi L, Zacharias H (2012) Electronic structure of spatially aligned graphene nanoribbons on au(788). Phys Rev Lett 108:216801. https://doi.org/10.1103/PhysRevLett.108.21680110.1103/PhysRevLett.108.216801 ↗
18. Song S, Su J, Telychko M, Li J, Li G, Li Y, Su C, Wu J, Lu J (2021) On-surface synthesis of graphene nanostructures with $$\pi$$-magnetism. Chem Soc Rev 50:3238–3262. https://doi.org/10.1039/D0CS01060J10.1039/D0CS01060J ↗
19. Li Y, Subramaniam D, Atodiresei N, Lazić P, Caciuc V, Pauly C, Georgi A, Busse C, Liebmann M, Blügel S, Pratzer M, Morgenstern M, Mazzarello R (2013) Absence of edge states in covalently bonded zigzag edges of graphene on ir(111). Adv Mater 25:1967–1972. https://doi.org/10.1002/adma.2012043910.1002/adma.20120439 ↗
20. Magda GZ, Jin X, Hagymási I, Vancsó P, Osváth Z, Nemes-Incze P, Hwang C, Biró LP, Tapasztó L (2014) Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons. Nature 514:608–611. https://doi.org/10.1038/nature1383110.1038/nature13831 ↗
21. Su X, Xue Z, Li G, Yu P (2018) Edge state engineering of graphene nanoribbons. Nano Lett 18:5744–5751. https://doi.org/10.1021/acs.nanolett.8b0235610.1021/acs.nanolett.8b02356 ↗
22. Lawrence J, Brandimarte P, Berdonces-Layunta A, Mohammed MSG, Grewal A, Leon CC, Sánchez-Portal D, Oteyza DG (2020) Probing the magnetism of topological end states in 5-armchair graphene nanoribbons. ACS Nano 14:4499–4508. https://doi.org/10.1021/acsnano.9b1019110.1021/acsnano.9b10191 ↗
23. Tada T, Yoshizawa K (2004) Reverse exponential decay of electrical transmission in nanosized graphite sheets. J Phys Chem B 108:7565–7572. https://doi.org/10.1021/jp031090810.1021/jp0310908 ↗
24. Martín Pendás A, Contreras-García J, Pinilla F, Mella JD, Cardenas C, Muñoz F (2019) A chemical theory of topological insulators. Chem Commun 55:12281–12287. https://doi.org/10.1039/C9CC04054D10.1039/C9CC04054D ↗
25. Gil-Guerrero S, Ramos-Berdullas N, Martín Pendás Á, Francisco E, Mandado M (2019) Anti-ohmic single molecule electron transport: is it feasible? Nanoscale Adv 1:1901–1913. https://doi.org/10.1039/C8NA00384J10.1039/C8NA00384J ↗
26. Li L, Gunasekaran S, Wei Y, Nuckolls C, Venkataraman L (2022) Reversed conductance decay of 1d topological insulators by tight-binding analysis. J Phys Chem Lett 13:9703–9710. https://doi.org/10.1021/acs.jpclett.2c0281210.1021/acs.jpclett.2c02812 ↗
27. Koch M, Ample F, Joachim C, Grill L (2012) Voltage-dependent conductance of a single graphene nanoribbon. Nature Nanotech 7:713–717. https://doi.org/10.1038/nnano.2012.16910.1038/nnano.2012.169 ↗
28. Honet A, Henrard L, Meunier V (2023) Correlation effects on topological end-states in finite-size graphene nanoribbons in the gw approximation. J Phys Cond Mater 35:485703. https://doi.org/10.1088/1361-648X/acf35f10.1088/1361-648X/acf35f ↗
29. Gil-Guerrero S, Peña-Gallego Á, Ramos-Berdullas N, Martín Pendás Á, Mandado M (2019) Assessing the reversed exponential decay of the electrical conductance in molecular wires: the undeniable effect of static electron correlation. Nano Lett 19:7394–7399. https://doi.org/10.1021/acs.nanolett.9b0306310.1021/acs.nanolett.9b03063 ↗
30. Salem L, Rowland C (1972) The electronic properties of diradicals. Angew Chem Int Ed Engl 11:92–111. https://doi.org/10.1002/anie.19720092110.1002/anie.197200921 ↗
31. Salem L (1973) Diradicals. Pure Appl Chem 33:317–328. https://doi.org/10.1351/pac19733302031710.1351/pac197333020317 ↗
32. Borden WT (2002) Diradicals. Wiley, Amsterdam. https://doi.org/10.1002/0470845015.cda01710.1002/0470845015.cda017 ↗
33. Ginsberg AP (1980) Magnetic exchange in transition metal complexes. 12. Calculation of cluster exchange coupling constants with the x.alpha.-scattered wave method. J Am Chem Soc 102:111–117. https://doi.org/10.1021/ja00521a02010.1021/ja00521a020 ↗
34. Noodleman L (1981) Valence bond description of antiferromagnetic coupling in transition metal dimers. J Chem Phys 74:5737–5743. https://doi.org/10.1063/1.44093910.1063/1.440939 ↗
35. Ovchinnikov AA, Labanowski JK (1996) Simple spin correction of unrestricted density-functional calculation. Phys Rev A 53:3946–3952. https://doi.org/10.1103/PhysRevA.53.394610.1103/PhysRevA.53.3946 ↗
36. Yamaguchi K, Fukui H, Fueno T (2006) Molecular orbital (MO) theory for magnetically interacting organic compounds. AB-initio MO calculations of the effective exchange integrals for cyclophane-type carbene dimers. Chem Lett 15:625–628. https://doi.org/10.1246/cl.1986.62510.1246/cl.1986.625 ↗
37. Illas F, Moreira IDPR, Bofill JM, Filatov M (2006) Spin symmetry requirements in density functional theory: the proper way to predict magnetic coupling constants in molecules and solids. Theor Chem Acc 116:587–59710.1007/s00214-006-0104-6 ↗
38. Tada K, Tanaka S, Kawakami T, Kitagawa Y, Okumura M, Yamaguchi K (2019) Spin contamination errors on spin-polarized density functional theory/plane-wave calculations for crystals of one-dimensional materials. Appl Phys Express 12:115506. https://doi.org/10.7567/1882-0786/ab4a3710.7567/1882-0786/ab4a37 ↗
39. Tada K, Kawakami T, Tanaka S, Okumura M, Yamaguchi K (2020) Clarification of the relationship between the magnetic and conductive properties of infinite chains in trioxotriangulene radical crystals by spin-projected dft/plane-wave calculations. Adv Theory Simul 3:2000050. https://doi.org/10.1002/adts.20200005010.1002/adts.202000050 ↗
40. Schlegel HB (1998) Spin contamination. In: Schleyer PVR, Allinger NL, Clark T, Gasteiger J, Kollman PA, Schaefer HF III, Schreiner PR (eds) Encyclopedia of Computational Chemistry. Wiley, Chichester, pp 2665–2671
41. Huzak M, Deleuze MS, Hajgató B (2011) Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise? J Chem Phys 135:104704. https://doi.org/10.1063/1.362655410.1063/1.3626554 ↗
42. Bobrowicz FW, Goddard WA III (1977) The self-consistent field equations for generalized valence bond and open-shell hartree-fock wave functions. In: Schaefer HF (ed) Methods of Electronic Structure Theory, vol 3. Modern Theoretical Chemistry. Springer, New York, pp 79–12710.1007/978-1-4757-0887-5_4 ↗
43. Filatov M, Martínez TJ, Kim KS (2016) Using the gvb ansatz to develop ensemble dft method for describing multiple strongly correlated electron pairs. Phys Chem Chem Phys 18:21040–2105010.1039/C6CP00236F ↗
44. Filatov M, Martínez TJ, Kim KS (2017) Description of ground and excited electronic states by ensemble density functional method with extended active space. J Chem Phys 147:064104. https://doi.org/10.1063/1.499687310.1063/1.4996873 ↗
45. Senkovskiy BV, Usachov DY, Fedorov AV, Haberer D, Ehlen N, Fischer FR, Grüneis A (2018) Finding the hidden valence band of n = 7 armchair graphene nanoribbons with angle-resolved photoemission spectroscopy. 2D Mater 5:035007. https://doi.org/10.1088/2053-1583/aabb7010.1088/2053-1583/aabb70 ↗
46. Puppin M, Nicholson CW, Monney C, Deng Y, Xian RP, Feldl J, Dong S, Dominguez A, Hübener H, Rubio A, Wolf M, Rettig L, Ernstorfer R (2022) Excited-state band structure mapping. Phys Rev B 105:075417. https://doi.org/10.1103/PhysRevB.105.07541710.1103/PhysRevB.105.075417 ↗
47. Boschini F, Zonno M, Damascelli A (2024) Time-resolved arpes studies of quantum materials. Rev Mod Phys 96:015003. https://doi.org/10.1103/RevModPhys.96.01500310.1103/RevModPhys.96.015003 ↗
48. Filatov M (2013) Assessment of density functional methods for obtaining geometries at conical intersections in organic molecules. J Chem Theory Comput 9:4526–454110.1021/ct400598b ↗
49. Filatov M (2015) Spin-restricted ensemble-referenced kohn-sham method: basic principles and application to strongly correlated ground and excited states of molecules. WIREs Comput Mol Sci 5:146–16710.1002/wcms.1209 ↗
50. Filatov, M (2016) Ensemble dft approach to excited states of strongly correlated molecular systems. In: Ferré N, Filatov M, Huix-Rotllant M (eds) Density-functional Methods for Excited States. Top. Curr. Chem., vol. 368, pp 97–124. Springer, Heidelberg10.1007/128_2015_630 ↗
51. Valone SM (1980) A one-to-one mapping between one-particle densities and some n-particle ensembles. J Chem Phys 73:4653–465510.1063/1.440656 ↗
52. Perdew JP, Parr RG, Levy M, Balduz JL Jr (1982) Density-functional theory for fractional particle number: derivative discontinuities of the energy. Phys Rev Lett 49:1691–169410.1103/PhysRevLett.49.1691 ↗
53. Lieb EH (1983) Density functionals for coulomb systems. Int J Quant Chem 24:243–27710.1002/qua.560240302 ↗
54. Englisch H, Englisch R (1983) Hohenberg-kohn theorem and non-v-representable densities. Physica A121:253–26810.1016/0378-4371(83)90254-6 ↗
55. Englisch H, Englisch R (1984) Exact density functionals for ground-state energies. I. General results. Phys Stat Sol (b) 123:711–72110.1002/pssb.2221230238 ↗
56. Englisch H, Englisch R (1984) Exact density functionals for ground-state energies II. Details and remarks. Phys Stat Sol (b) 124:373–37910.1002/pssb.2221240140 ↗
57. Gross EKU, Oliveira LN, Kohn W (1988) Rayleigh-ritz variational principle for ensembles of fractionally occupied states. Phys Rev A 37:2805–280810.1103/PhysRevA.37.2805 ↗
58. Gross EKU, Oliveira LN, Kohn W (1988) Density-functional theory for ensembles of fractionally occupied states. I. Basic formalism. Phys Rev A 37:2809–282010.1103/PhysRevA.37.2809 ↗
59. Oliveira LN, Gross EKU, Kohn W (1988) Density-functional theory for ensembles of fractionally occupied states. II. Application to the he atom. Phys Rev A 37:2821–283310.1103/PhysRevA.37.2821 ↗
60. Oliveira LN, Gross EKU, Kohn W (1990) Ensemble-density functional theory. Int J Quant Chem Quant Chem Symp 24:707–71610.1002/qua.560382470 ↗
61. Day OW, Smith DW, Garrod C (1974) A generalization of the hartree-fock one-particle potential. Int J Quant Chem Symp 8:501–50910.1002/qua.560080855 ↗
62. Morrell MM, Parr RG, Levy M (1975) Calculation of ionization potentials from density matrices and natural functions, and the long-range behavior of natural orbitals and electron density. J Chem Phys 62:549–55410.1063/1.430509 ↗
63. Smith DW, Day OW (1975) Extension of koopmans’ theorem. I. Derivation. J Chem Phys 62:113–11410.1063/1.430253 ↗
64. Filatov M, Lee S, Choi CH (2020) Computation of molecular ionization energies using an ensemble density functional theory method. J Chem Theory Comput 16:4489–4504. https://doi.org/10.1021/acs.jctc.0c0021810.1021/acs.jctc.0c00218 ↗
65. Filatov M, Seunghoon LH, Nakata Choi CH (2020) Computation of molecular electron affinities using an ensemble density functional theory method. J Phys Chem A 124:7795–780410.1021/acs.jpca.0c06976 ↗
66. Pomogaeva A, Filatov M, Choi CH (2022) Manifestations of strong electron correlation in polyacene: fundamental gap, density of states, and photoconductivity. Carbon Trends 7:100146. https://doi.org/10.1016/j.cartre.2022.10014610.1016/j.cartre.2022.100146 ↗
67. Pomogaeva A, Kirtman B, Gu FL, Aoki Y (2008) Band structure built from oligomer calculations. J Chem Phys 128:07410910.1063/1.2840354 ↗
68. Pomogaeva A, Springborg M, Kirtman B, Gu FL, Aoki Y (2009) Band structures built by the elongation method. J Chem Phys 130:19410610.1063/1.3131262 ↗
69. Yan LK, Pomogaeva A, Gu FL, Aoki Y (2010) Theoretical study on nonlinear optical properties of metalloporphyrin using elongation method. Theor Chem Acc 125:511–520. https://doi.org/10.1007/s00214-009-0669-y10.1007/s00214-009-0669-y ↗
70. Pomogaeva A, Gu FL, Imamura A, Aoki Y (2010) Electronic structures and nonlinear optical properties of supramolecular associations of benzo-2,1,3-chalcogendiazoles by the elongation method. Theor Chem Acc 125:453–460. https://doi.org/10.1007/s00214-009-0576-210.1007/s00214-009-0576-2 ↗
71. Aoki Y, Gu FL (2012) An elongation method for large systems toward bio-systems. Phys Chem Chem Phys 14(21):7640–7668. https://doi.org/10.1039/c2cp24033e10.1039/c2cp24033e ↗
72. Pomogaeva AV, Timoshkin AY (2015) Strong dependence of structural and electronic properties of rod-shaped [rganh]3n (r = h, ch3) oligomers on terminal groups. J Phys Chem C 119(29):16475–16482. https://doi.org/10.1021/acs.jpcc.5b0419210.1021/acs.jpcc.5b04192 ↗
73. Hisama K, Orimoto Y, Pomogaeva A, Nakatani K, Aoki Y (2021) Ab initio multi-level layered elongation method and its application to local interaction analysis between dna bulge and ligand molecules. J Chem Phys 155:044110. https://doi.org/10.1063/5.005009610.1063/5.0050096 ↗
74. Xu X, Sun K, Ishikawa A, Narita A, Kawai S (2023) Magnetism in nonplanar zigzag edge termini of graphene nanoribbons. Angew Chem Int Ed 62:202302534. https://doi.org/10.1002/anie.20230253410.1002/anie.202302534 ↗
75. Schipper PRT, Gritsenko OV, Baerends E-J (1998) One-determinantal pure state versus ensemble kohn-sham solutions in the case of strong electron correlation: Ch2 and c2. Theor Chem Acc 99:329–34310.1007/s002140050343 ↗
76. Schipper PRT, Gritsenko OV, Baerends E-J (1999) Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate kohn-sham solution with generalized gradient approximations for the h2+h and h2+h2 reactions. J Chem Phys 111:4056–406710.1063/1.479707 ↗
77. Morrison RC (2002) Electron correlation and noninteracting v-representability in density functional theory: the be isoelectronic series. J Chem Phys 117:10506–1051110.1063/1.1520136 ↗
78. Baerends EJ (2020) On derivatives of the energy with respect to total electron number and orbital occupation numbers. A critique of janak’s theorem. Mol Phys 118:1612955. https://doi.org/10.1080/00268976.2019.161295510.1080/00268976.2019.1612955 ↗
79. Baerends EJ (2022) Chemical potential, derivative discontinuity, fractional electrons, jump of the kohn-sham potential, atoms as thermodynamic open systems, and other (mis)conceptions of the density functional theory of electrons in molecules. Phys Chem Chem Phys 24:12745–12766. https://doi.org/10.1039/D2CP01585D10.1039/D2CP01585D ↗
80. Tersoff J, Hamann DR (1985) Theory of the scanning tunneling microscope. Phys Rev B 31:805–813. https://doi.org/10.1103/PhysRevB.31.80510.1103/PhysRevB.31.805 ↗
81. Horcas I, Fernández R, Gómez-Rodríguez JM, Colchero J, Gómez-Herrero J, Baro AM (2007) WSXM: a software for scanning probe microscopy and a tool for nanotechnology. Rev Sci Instrum 78:013705. https://doi.org/10.1063/1.243241010.1063/1.2432410 ↗
82. Salem L, Bruckmann P (1975) Conversion of a photon to an electrical signal by sudden polarisation in the n-retinylidene visual chromophore. Nature 258:526–52810.1038/258526a0 ↗
83. Bonačić-Koutecký V, Bruckmann P, Hiberty P, Koutecký J, Leforestier C, Salem L (1975) Sudden polarization in the zwitterionic z1 excited states of organic intermediates. Photochemical implications. Angew Chem Int Ed 14:575–57610.1002/anie.197505751 ↗
84. Brooks BR, Schaefer HF (1979) Sudden polarization: pyramidalization of twisted ethylene. J Am Chem Soc 101:307–31110.1021/ja00496a005 ↗
85. Tezuka T, Kikuchi O, Houk KN, Paddon-Row MN, Santiago CM, Rondan NG, Williams JC, Gandour RW (1981) A sudden-polarization model to predict regioselectivities and periselectivities of the 1,7-sigmatropic shifts and electrocyclizations of singlet excited states of cycloheptatrienes. J Am Chem Soc 103:1367–137110.1021/ja00396a012 ↗
86. Dormans GJM, Fransen HR, Buck HM (1984) A quantum chemical study on the mechanism of a photochemical [1,3]-hydroxyl shift in 2-propen-1-ol. J Am Chem Soc 106:1213–121610.1021/ja00317a007 ↗
87. Kikuchi O, Yoshida H (1985) A sudden-polarization model to predict excited state reactivity of $$\beta$$-t-butylstyrene. Bull Chem Soc Jpn 58:131–13510.1246/bcsj.58.131 ↗
88. Schuddeboom W, Jonker SA, Warman JM, Haas MP, Vermeulen MJW, Jager WF, Lange B, Feringa BL, Fessenden RW (1993) Sudden polarization in the twisted, phantom state of tetraphenylethylene detected by time-resolved microwave conductivity. J Am Chem Soc 115:3286–329010.1021/ja00061a029 ↗
89. Pomogaev V, Lee S, Shaik S, Filatov M, Choi CH (2021) Exploring dyson’s orbitals and their electron binding energies for conceptualizing excited states from response methodology. J Phys Chem Lett 12:9963–9972. https://doi.org/10.1021/acs.jpclett.1c0249410.1021/acs.jpclett.1c02494 ↗
90. Filatov M, Lee S, Choi CH (2021) Description of sudden polarization in the excited electronic states with an ensemble density functional theory method. J Chem Theory Comput 17:5123–5139. https://doi.org/10.1021/acs.jctc.1c0047910.1021/acs.jctc.1c00479 ↗
91. Wannier GH (1960) Wave functions and effective hamiltonian for bloch electrons in an electric field. Phys Rev 117:432–439. https://doi.org/10.1103/PhysRev.117.43210.1103/PhysRev.117.432 ↗
92. Wannier GH (1962) Dynamics of band electrons in electric and magnetic fields. Rev Mod Phys 34:645–655. https://doi.org/10.1103/RevModPhys.34.64510.1103/RevModPhys.34.645 ↗
93. Mendez EE, Bastard G (1993) Wannier-Stark Ladders and Bloch oscillations in superlattices. Phys Today 46:34–42. https://doi.org/10.1063/1.88135310.1063/1.881353 ↗
94. Siegbahn K (1970) Electron spectroscopy for chemical analysis Math (e.s.c.a.). Philos Trans R Soc Lond Ser A Phys Sci 268(1184):33–57
95. Stolow A (2003) Femtosecond time-resolved photoelectron spectroscopy of polyatomic molecules. Annu Rev Phys Chem 54:89–11910.1146/annurev.physchem.54.011002.103809 ↗
96. Stolow A, Bragg AE, Neumark DM (2004) Femtosecond time-resolved photoelectron spectroscopy. Chem Rev 104:1719–175810.1021/cr020683w ↗
97. Neppl S, Gessner O (2015) Time-resolved x-ray photoelectron spectroscopy techniques for the study of interfacial charge dynamics. J Electron Spectr Relat Phenomena 200:64–7710.1016/j.elspec.2015.03.002 ↗
98. Arion T, Neppl S, Roth F, Shavorskiy A, Bluhm H, Hussain Z, Gessner O, Eberhardt W (2015) Site-specific probing of charge transfer dynamics in organic photovoltaics. Appl Phys Lett 106:121602. https://doi.org/10.1063/1.491627810.1063/1.4916278 ↗
99. Roth F, Borgwardt M, Wenthaus L, Mahl J, Palutke S, Brenner G, Mercurio G, Molodtsov S, Wurth W, Gessner O, Eberhardt W (2021) Direct observation of charge separation in an organic light harvesting system by femtosecond time-resolved xps. Nat Commun 12:1196. https://doi.org/10.1038/s41467-021-21454-310.1038/s41467-021-21454-3 ↗
100. Myrseth V, Børve KJ, Wiesner K, Bässler M, Svensson S, Sæthre LJ (2002) Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of benzene and deuterobenzene. Phys Chem Chem Phys 4:5937–5943. https://doi.org/10.1039/B208160A10.1039/B208160A ↗