메뉴 건너뛰기




Volumn 113, Issue 3, 2009, Pages 979-988

A dynamic landscape from femtoseconds to minutes for excess electrons at ice - metal interfaces

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO CALCULATIONS; CONFORMATIONAL SUBSTATES; CRYSTALLINE ICES; EXCESS ELECTRONS; FEMTO-SECONDS; FEMTOSECOND TIME-RESOLVED; FIRST-PRINCIPLE CALCULATIONS; ICE-METAL INTERFACES; IMAGE POTENTIAL STATE; LONG RESIDENCE TIME; OPTICAL EXCITATIONS; TIME-SCALES; TRAPPED ELECTRONS; TWO-PHOTON PHOTOELECTRON SPECTROSCOPIES; VACUUM INTERFACES;

EID: 65249182102     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp806997d     Document Type: Article
Times cited : (62)

References (58)
  • 23
    • 0032498148 scopus 로고    scopus 로고
    • Ge, N.-H.; Wong. C. M.; Lingle, R. L.. Jr.; McNeill. J. D.: Gaffney. K. J.; Harris, C. B. Science 1998, 279, 202.
    • Ge, N.-H.; Wong. C. M.; Lingle, R. L.. Jr.; McNeill. J. D.: Gaffney. K. J.; Harris, C. B. Science 1998, 279, 202.
  • 31
    • 84888543809 scopus 로고    scopus 로고
    • h.
    • h.
  • 32
    • 84888501636 scopus 로고    scopus 로고
    • PhD thesis, Freie Universität Berlin, available online at
    • Gahl C., PhD thesis, Freie Universität Berlin 2004, available online at www.diss.fu-berlin.de/diss/receive/FUDlSS-thesis-000000001387.
    • (2004)
    • Gahl, C.1
  • 39
    • 84888542923 scopus 로고    scopus 로고
    • With increasing ice coverage > 1 BL, where crystalline ice islands are formed, we observe a reduction of the 2PPE intensity In=1 of the n, 1 IPS. Thus, the IPS extends from the bare first bilayer in between crystalline ice islands into vacuum. The ratio of areas exhibiting bare first bilayer and crystalline ice islands is determined by normalizing I n=1 to the to the value at 1 BL. As the is known from the coverage we determine the island height to 4 BL for the mass equivalent coverage of 2 BL shown in Figure 1. Adding the first bilayer we arrive at a total height of crystalline ice ice structures of 19 Å
    • n=1 to the to the value at 1 BL. As the volume is known from the coverage we determine the island height to 4 BL for the mass equivalent coverage of 2 BL shown in Figure 1. Adding the first bilayer we arrive at a total height of crystalline ice ice structures of 19 Å.
  • 52
    • 21644469952 scopus 로고    scopus 로고
    • In this way we avoid the evaluation of vertical detachment energies that are known (cf. Herbert, J. M, Head-Gordon, H. J. Chem. Phys. A 2005, 109, 5217) to be overestimated by DFT methods compared to sophisticated quantum chemical methods. However, a description of the model system of 96 water molecules outlined below with such abinitio method is presently unavailable. We expect that the trends regarding the trapping of the excess electron and its localization are well captured with the present approach
    • In this way we avoid the evaluation of vertical detachment energies that are known (cf. Herbert, J. M.; Head-Gordon, H. J. Chem. Phys. A 2005, 109, 5217) to be overestimated by DFT methods compared to sophisticated quantum chemical methods. However, a description of the model system of 96 water molecules outlined below with such abinitio method is presently unavailable. We expect that the trends regarding the trapping of the excess electron and its localization are well captured with the present approach.
  • 55


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.