On the dual character of charged metal-molecule hybrids and the opposite behaviour of the forward and reverse CT processes
DFT calculations predict two different electronic structures of metal-molecule hybrids which are selected depending on the surface charge. While the metal-to-molecule CT states are very sensitive to the charge, the energies of the reverse molecule-to-metal CT processes are surprisingly not modified...
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| Published in | Physical chemistry chemical physics : PCCP Vol. 16; no. 42; pp. 22958 - 22961 |
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| Main Authors | , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
England
14.11.2014
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| Subjects | |
| Online Access | Get full text |
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| Abstract | DFT calculations predict two different electronic structures of metal-molecule hybrids which are selected depending on the surface charge. While the metal-to-molecule CT states are very sensitive to the charge, the energies of the reverse molecule-to-metal CT processes are surprisingly not modified at all by the charge of the metal. |
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| AbstractList | DFT calculations predict two different electronic structures of metal–molecule hybrids which are selected depending on the surface charge. While the metal-to-molecule CT states are very sensitive to the charge, the energies of the reverse molecule-to-metal CT processes are surprisingly not modified at all by the charge of the metal. |
| Author | Centeno, S P Otero, J C Roman-Perez, J Soto, J López-Tocón, I López-Ramírez, M R Arenas, J F |
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| CitedBy_id | crossref_primary_10_1016_j_apsusc_2021_152071 crossref_primary_10_1016_j_diamond_2023_109693 crossref_primary_10_3390_nano9091211 crossref_primary_10_3390_molecules24244622 crossref_primary_10_1021_acs_jpcc_0c04130 crossref_primary_10_1039_C6CP07585A crossref_primary_10_3389_fchem_2019_00423 |
| Cites_doi | 10.1002/1521-3773(20010401)40:7<1162::AID-ANIE1162>3.0.CO;2-F 10.1021/jp1055717 10.1021/jp412231w 10.1021/jp066479k 10.1021/jp911865w 10.1016/0039-6028(84)90251-6 10.1063/1.448975 10.1039/b810189b 10.1039/c0cc05314g 10.1021/cr0501689 10.1039/c0cc05313a 10.1021/cr00017a013 |
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| References | Lindstrom (C4CP03984J-(cit2)/*[position()=1]) 2006; 106 Kolb (C4CP03984J-(cit5)/*[position()=1]) 2001; 40 Hay (C4CP03984J-(cit11)/*[position()=1]) 1985; 82 Kamat (C4CP03984J-(cit1)/*[position()=1]) 1993; 93 López-Ramírez (C4CP03984J-(cit12)/*[position()=1]) 2010; 114 Otto (C4CP03984J-(cit4)/*[position()=1]) 1984; 138 Cui (C4CP03984J-(cit3)/*[position()=1]) 2010; 114 Roman-Perez (C4CP03984J-(cit6)/*[position()=1]) 2014; 118 Avila (C4CP03984J-(cit8)/*[position()=1]) 2011; 47 Zhao (C4CP03984J-(cit10)/*[position()=1]) 2006; 110 Chai (C4CP03984J-(cit13)/*[position()=1]) 2008; 10 Avila (C4CP03984J-(cit7)/*[position()=1]) 2011; 47 |
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| SubjectTerms | Charge Charging Electronic structure Mathematical analysis Physical chemistry Surface charge |
| Title | On the dual character of charged metal-molecule hybrids and the opposite behaviour of the forward and reverse CT processes |
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