Optoelectronic Properties of Natural Cyanin Dyes

被引：24

作者：

Calzolari, A. ^{[1
]}

Varsano, D. ^{[1
]}

Ruini, A. ^{[1
,2
]}

Catellani, A. ^{[3
]}

Tel-Vered, R. ^{[4
]}

Yildiz, H. B. ^{[4
]}

Ovits, O. ^{[4
]}

Willner, I. ^{[4
]}

机构：

[1] CNR INFM, Natl Ctr NanoStruct & BioSyst Surf S3, I-41100 Modena, Italy

[2] Univ Modena & Reggio Emilia, Dipartimento Fis, I-41100 Modena, Italy

[3] CNR IMEM, I-43100 Parma, Italy

[4] Hebrew Univ Jerusalem, Inst Chem, IL-91904 Jerusalem, Israel

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2009年 / 113卷 / 30期

关键词：

DENSITY-FUNCTIONAL THEORY; ANTHOCYANIN PIGMENTS; EXCITED-STATES; COLOR; DNA; PSEUDOPOTENTIALS; COPIGMENTATION; ABSORPTION; CHEMISTRY; MECHANISM;

D O I：

10.1021/jp904966d

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：

An integrated theoretical/experimental study of the natural cyanin dye is presented in terms of its structural and optoelectronic properties for different gas-phase and prototypical device configurations. Our microscopic analysis reveals the impact of hydration and hydroxylation reactions, as well as of the attached sugar, on ground and optically excited states, and it illustrates the visible-light harvesting capability of the dye. Our optical experiments at different and controlled pH concentrations allow for a direct comparison with theoretical results. We analyze the many different contributions to photocurrent of the various portions of a prototypical device and, as a proof of principle, we propose the addition of specific ligands to control the increase of the photocurrent yield in the cyanin-based electrochemical device.

引用

页码：8801 / 8810

页数：10

共 45 条

[1] Charge migration in DNA: Ion-gated transport [J].

Barnett, RN ;

Cleveland, CL ;

Joy, A ;

Landman, U ;

Schuster, GB .

SCIENCE, 2001, 294 (5542) :567-571

[2] MECHANISM OF STRUCTURAL TRANSFORMATIONS OF ANTHOCYANINS IN ACIDIC MEDIA [J].

BROUILLARD, R ;

DUBOIS, JE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (05) :1359-1364

[3] CHEMISTRY OF ANTHOCYANIN PIGMENTS .2. KINETIC AND THERMODYNAMIC STUDY OF PROTON-TRANSFER, HYDRATION, AND TAUTOMERIC REACTIONS OF MALVIDIN 3-GLUCOSIDE [J].

BROUILLARD, R ;

DELAPORTE, B .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (26) :8461-8468

[4] CHEMISTRY OF ANTHOCYANIN PIGMENTS .3. RELAXATION AMPLITUDES IN PH-JUMP EXPERIMENTS [J].

BROUILLARD, R ;

DELAPORTE, B ;

DUBOIS, JE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (19) :6202-6205

[5] THE INVIVO EXPRESSION OF ANTHOCYANIN COLOR IN PLANTS [J].

BROUILLARD, R .

PHYTOCHEMISTRY, 1983, 22 (06) :1311-1323

[6]

Brouillard R., 1988, The Flavonoids, Advances in Research since 1980, P525

[7]

Casida M. E., 1996, THEORET COMPUT CHEM

[8] Optical Properties of Nanostructures from Time-Dependent Density Functional Theory [J].

Castro, Alberto ;

Marques, Miguel A. L. ;

Alonso, Julio A. ;

Rubio, Angel .

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2004, 1 (03) :231-255

[9] octopus: a tool for the application of time-dependent density functional theory [J].

Castro, Alberto ;

Appel, Heiko ;

Oliveira, Micael ;

Rozzi, Carlo A. ;

Andrade, Xavier ;

Lorenzen, Florian ;

Marques, M. A. L. ;

Gross, E. K. U. ;

Rubio, Angel .

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2006, 243 (11) :2465-2488

[10] Ultrafast electron injection: Implications for a photoelectrochemical cell utilizing an anthocyanin dye-sensitized TiO2 nanocrystalline electrode [J].

Cherepy, NJ ;

Smestad, GP ;

Gratzel, M ;

Zhang, JZ .

JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (45) :9342-9351

← 1 2 3 4 5 →