Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

被引：36

作者：

Cabellos, J. L. ^{[1
,2
,3
]}

Mowbray, D. J. ^{[1
,2
,3
]}

Goiri, E. ^{[3
]}

El-Sayed, A. ^{[4
]}

Foreano, L. ^{[5
]}

de Oteyza, D. G. ^{[6
,7
]}

Rogero, C. ^{[3
,7
]}

Ortega, J. E. ^{[3
,4
,7
]}

Rubio, A. ^{[1
,2
,3
,7
]}

机构：

[1] Univ Pais Vasco UPV EHU, Nanobio Spect Grp, E-20018 San Sebastian, Spain

[2] Univ Fais Vasco UPV EHU, ETSF Sci Dev Ctr, Dept Fis Mat, E-20018 San Sebastian, Spain

[3] Donostia Int Phys Ctr DIPC, E-20018 San Sebastian, Spain

[4] Univ Pais Vasco UPV EHU, Dept Fis Aplicada, E-20018 San Sebastian, Spain

[5] CNR IOM, Lab TASC, I-34149 Trieste, Italy

[6] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA

[7] CSIC UPV EHU Mat Phys Ctr, Ctr Fis Mat, E-20018 San Sebastian, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2012年 / 116卷 / 34期

基金：

欧洲研究理事会;

关键词：

LEVEL BINDING-ENERGY; ELECTRONIC-PROPERTIES; SHIFTS; TRANSITION;

D O I：

10.1021/jp3004213

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We develop an effective potential approach for assessing the flow of charge within a two-dimensional donor acceptor/metal network based on core-level shifts. To do so, we perform both density functional theory (DFT) calculations and X-ray photoemission spectroscopy (XPS) measurements of the core-level shifts for three different monolayers adsorbed on a Ag substrate. Specifically, we consider perfluorinated pentacene (PFP), copper phthalocyanine (CuPc), and their 1:1 mixture (PFP+CuPc) adsorbed on Ag(111).

引用

页码：17991 / 18001

页数：11

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