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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 109, 2011 - Issue 21
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Research Articles

DFT study of electronic structure and optical properties of some Ru- and Rh-based complexes for dye-sensitized solar cells

Corneliu I. Oprea Department of Physics, Ovidius University of Constanţa, Constanţa, Romania
,
Bogdan Frecuş Department of Physics, Ovidius University of Constanţa, Constanţa, Romania; Department of Theoretical Chemistry, Royal Institute of Technology, Stockholm, Sweden
,
Boris F. Minaev Department of Theoretical Chemistry, Royal Institute of Technology, Stockholm, Sweden; Department of Chemistry, B. Khmelnitsky National University, Cherkassy, UkraineCorrespondence[email protected] [email protected]
&
Mihai A. Gîrţu Department of Physics, Ovidius University of Constanţa, Constanţa, Romania
Pages 2511-2523 | Received 20 Jun 2011, Accepted 01 Sep 2011, Published online: 06 Oct 2011

Citations (12)

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Read on this site (4)

Rene Costa, Ohoud S. Al-Qurashi, Nuha Wazzan, Alexander Pogrebnoi & Tatiana Pogrebnaya. (2022) Designed complexes based on betanidin and L0 Dyes for DSSCs: thermodynamic and optoelectronic properties from DFT study. Molecular Simulation 48:8, pages 647-661.
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A.S. Shalabi, S. Abdel Aal & A.M. El Mahdy. (2013) The effect of ruthenium on the performance of porphyrin dye and porphyrin–fullerene dyad solar cells predicted by DFT and TD-DFT calculations. Molecular Simulation 39:9, pages 689-699.
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CorneliuI. Oprea, Petre Panait, BorisF. Minaev, Hans Ågren, Fanica Cimpoesu, Marilena Ferbinteanu & MihaiA. Gîrţu. (2013) Comparative computational IR, Raman and phosphorescence study of Ru- and Rh-based complexes. Molecular Physics 111:9-11, pages 1526-1538.
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Vindhya Hegde & Naveen V. Kulkarni. Sustainable Late Transition Metal-Based Dyes for Dye-Sensitized Solar Cells. Comments on Inorganic Chemistry 0:0, pages 1-79.
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Articles from other publishers (8)

Matías Monroy-Cárdenas, Oscar Forero-Doria, Ramiro Araya-Maturana & Maximiliano Martínez-Cifuentes. (2021) An Experimental and Theoretical Study of Dye Properties of Thiophenyl Derivatives of 2-Hydroxy-1,4-naphthoquinone (Lawsone). Materials 14:19, pages 5587.
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Rene Costa, Alexander Pogrebnoi & Tatiana Pogrebnaya. (2021) Betanidin isomerisation and decarboxylation, thermodynamic and charge transfer dye properties towards dye sensitised solar cells application. Journal of Physical Organic Chemistry 34:6.
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Ye Sheng, Minjie Li, Martha M. Flores-Leonar, Wencong Lu, Jiong Yang & Yanni Hu. (2020) Rational design of SM315-based porphyrin sensitizers for highly efficient dye-sensitized solar cells: A theoretical study. Journal of Molecular Structure 1205, pages 127567.
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Amosi Makoye, Alexander Pogrebnoi & Tatiana Pogrebnaya. (2020) Lawsone isomers, lawsone ether and bilawsone for dye-sensitized solar cells applications: DFT and UV–Vis studies. Journal of Molecular Graphics and Modelling 94, pages 107457.
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Yuanyuan Li, Yue Zhang, Jingshun Zhang, Junfeng Li, Wenpeng Wu & Li Wang. (2018) Constructive effects of the interfacial properties: A strategy to design hole transport materials for high performance perovskite solar cells. Organic Electronics 62, pages 591-597.
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Ruby Srivastava. (2014) On the viability of ruthenium (II) N-heterocyclic carbene complexes as dye-sensitized solar cell (DSSCs): A theoretical study. Computational and Theoretical Chemistry 1045, pages 47-56.
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Erik A. Karlsson, Bao‐Lin Lee, Rong‐Zhen Liao, Torbjörn Åkermark, Markus D. Kärkäs, Valeria Saavedra Becerril, Per E. M. Siegbahn, Xiaodong Zou, Maria Abrahamsson & Björn Åkermark. (2014) Synthesis and Electron‐Transfer Processes in a New Family of Ligands for Coupled Ru−Mn 2 Complexes . ChemPlusChem 79:7, pages 936-950.
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Wanhua Wu, Jifu Sun, Xiaoneng Cui & Jianzhang Zhao. (2013) Observation of the room temperature phosphorescence of Bodipy in visible light-harvesting Ru(ii) polyimine complexes and application as triplet photosensitizers for triplet–triplet-annihilation upconversion and photocatalytic oxidation. Journal of Materials Chemistry C 1:30, pages 4577.
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