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Ranga Prabhath

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Restyandito Restyandito

Duta Wacana Christian University

University of Cagliari

Armando Marques-Guedes

UNL - New University of Lisbon

Iolanda Craifaleanu

Technical University Of Civil Engineering, Bucharest

Fabián Hoyos Patiño

Universidad Nacional de Colombia (National University of Colombia)

Heyecan Giritli

Istanbul Technical University

Emha Taufiq Luthfi

STMIK AMIKOM Yogyakarta

Mahmoud SAYED AHMED

Toronto Metropolitan University

Luis Caballero Zoreda

CSIC (Consejo Superior de Investigaciones Científicas-Spanish National Research Council)

Mahaputra Hidayat

Institut Teknologi Sepuluh Nopember

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Papers by Ranga Prabhath

Role of metallophilic interactions in "turning on" substituent effects and emission tunability of novel bis-4-(2-pyridyl)-1,2,3-triazolatoplatinum(II) complexes

CCDC 2034794: Experimental Crystal Structure Determination

CCDC 1831604: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1831603: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Molecular Design of Organometallic Materials: Effect of the Metallophilic Interactions, Ligand, Metal, and Oxidation State

Quantum Systems in Physics, Chemistry, and Biology, 2017

Fig.S1 Molecular orbitals involved in the ground state to excited state transitions. S 0, Pt(LA2)... more

Synthesis of Biologically Active Heterospirocycles through Iterative 1,3-Dipolar Cycloaddition Pathways

The Journal of Organic Chemistry, 2020

We demonstrate the novel spiroannulation of exoimines with 1,3-dipoles, for the first time, leadi... more We demonstrate the novel spiroannulation of exoimines with 1,3-dipoles, for the first time, leading to 3D spirocycles with a secondary amine (NH) in the spiro-ring. The synthetic method described herein allows access to these previously unexplored heterospirocyclic cores that have application in the discovery of functional molecules for medicinal and materials science. This was demonstrated by discovering an unprecedented class of heterospirocycles with antimalarial activity against the human protozoan P. falciparum.

Molecular Design of pH-Sensitive Ru(II)–Polypyridyl Luminophores

The Journal of Physical Chemistry A, 2019

Discussion S1. Absorption properties of the deprotonated complex ions [Ru(bpy)2X] + Lowest in ene... more Discussion S1. Absorption properties of the deprotonated complex ions [Ru(bpy)2X] + Lowest in energy 1 MLCT excitations The experimental results show absorption bands at 505 nm (12PYAZ), 494 nm (13PYAZ), 480 nm (12PZAZ) and a small shoulder about 488 nm (13PZAZ). The calculations reveal that each deprotonated complex ion is characterized with two very close in energy singlet excited states-S1 and S2 (Table 1). According to the MO analysis, these excitations involve HOMO→LUMO (S1) and HOMO→LUMO+1 (S2) transitions (Figure 1-2 and SI, Table S2-S4). The HOMO of the deprotonated complex ions is localized on the Ru(II) and the azolate rings. The LUMO and LUMO+1 represent π-accepting orbitals, associated with L and the R bipyridine ligands (Scheme 1), respectively. Therefore, the S1 transition is denoted as (d-πazo)π*bpy L charge transfer, while S2 as (d-πazo)-π*bpy R charge transfer (Figure 1-2 and SI, Table S2-S4). The presence of closely lying in energy S1 and S2 excited states can be explained by the stronger interaction of Ru(II) with the R bipyridine ligand than with the L bipyridine ligand 2 519 0.

Synthesis of 1,2,4-Triazol-3-imines via Selective Stepwise Cycloaddition of Nitrile Imines with Organo-cyanamides

Organic letters, Jul 20, 2018

A convenient method for the synthesis of 1,2,4-triazol-3-imines through a selective, formal, 1,3-... more A convenient method for the synthesis of 1,2,4-triazol-3-imines through a selective, formal, 1,3-dipolar cycloaddition of organo-cyanamide ions with nitrile imine dipoles is reported. Hydrolysis of the 1,2,4-triazol-3-imines yields the corresponding 1,2,4-triazol-5-ones. A stepwise mechanism, supported by DFT calculations, is invoked to explain the reaction selectivity.

Recent Advances in Cyanamide Chemistry: Synthesis and Applications

Molecules (Basel, Switzerland), Jan 12, 2017

The application of alkyl and aryl substituted cyanamides in synthetic chemistry has diversified m... more The application of alkyl and aryl substituted cyanamides in synthetic chemistry has diversified multi-fold in recent years. In this review, we discuss recent advances (since 2012) in the chemistry of cyanamides and detail their application in cycloaddition chemistry, aminocyanation reactions, as well as electrophilic cyanide-transfer agents and their unique radical and coordination chemistry.

Relationship between Metallophilic Interactions and Luminescent Properties in Pt(II) Complexes: TD-DFT Guide for the Molecular Design of Light-Responsive Materials

The Journal of Physical Chemistry C, 2016

DFT/TD-DFT investigation has been performed on pyridyl triazolatoplatinum(II) complexes with a sy... more DFT/TD-DFT investigation has been performed on pyridyl triazolatoplatinum(II) complexes with a systematic variation of the donor/acceptor properties of the ligand in order to illuminate its effect on the metallophilic intermolecular interaction in ground and excited states. The π-electronic properties of the pyridyl triazolate ligand were modified by the pyridine substituent: −N(CH3)2, −H, −CHO, or −CHC(CN)2. The simulations reveal that the donor/acceptor strength of the substituent has a strong impact on the metallophilic interaction in the excited state and affects the emission properties at the supramolecular level. The theoretically derived structure–property relationships are corroborated by experimental data. Finally, it is proposed that the modification of the π-electronic character of the substituent (ligand field) can be applied in the molecular design of smart luminescent materials with light-driven metallophilic interactions.

High efficiency air stable organic photovoltaics with an aqueous inorganic contact

Nanoscale, 2015

We report a ZnO interfacial layer based on an environmentally friendly aqueous precursor for orga... more We report a ZnO interfacial layer based on an environmentally friendly aqueous precursor for organic photovoltaics. Inverted PCDTBT devices based on this precursor show power conversion efficiencies of 6.8-7%. Unencapsulated devices stored in air display prolonged lifetimes extending over 200 hours with less than 20% drop in efficiency compared to devices based on the standard architecture. † Electronic supplementary information (ESI) available: Experimental methods, performance of standard architecture, inverted architecture with TiO x interlayer, onset of s-curves for the standard architecture, photoluminescence of the ZnO film, field effect characteristics of the ZnO thin films, thermogravimetric analysis of ZnO.

The Role of Substituent Effects in Tuning Metallophilic Interactions and Emission Energy of Bis-4-(2-pyridyl)-1,2,3-triazolatoplatinum(II) Complexes

Angewandte Chemie International Edition, 2015

The photoluminescence spectra of a series of 5-substituted pyridyl-1,2,3-triazolato Pt(II) homole... more The photoluminescence spectra of a series of 5-substituted pyridyl-1,2,3-triazolato Pt(II) homoleptic complexes show weak emission tunability (ranging from λ=397-408 nm) in dilute (10(-6) M) ethanolic solutions at the monomer level and strong tunability in concentrated solutions (10(-4) M) and thin films (ranging from λ=487-625 nm) from dimeric excited states (excimers). The results of density functional calculations (PBE0) attribute this &amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;quot;turn-on&amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;quot; sensitivity and intensity in the excimer to strong Pt-Pt metallophilic interactions and a change in the excited-state character from singlet metal-to-ligand charge transfer ((1) MLCT) to singlet metal-metal-to-ligand charge transfer ((1) MMLCT) emissions in agreement with lifetime measurements.

Solution processed reduced graphene oxide/metal oxide hybrid electron transport layers for highly efficient polymer solar cells

Journal of Materials Chemistry A, 2013

The solution to the all polymer solar cell that breaks the 10% efficiency barrier keeps getting c... more The solution to the all polymer solar cell that breaks the 10% efficiency barrier keeps getting closer, with ever more scrutiny on each component in the active device for better performance. Much effort has been expended on the hole transport layers and photo-active polymer blends in these solution deposited photovoltaic cells. In this study we examine the merits of incorporating solution deposited metal oxide and hybrid metal oxide/reduced graphene oxide (RGO) based electron transport layers (ETL) with a view to providing further improvements to the PV cell architecture. Low bandgap active layer blends of [3,4b]thiophene/benzodithiophene (PTB7) and [6,6]-phenyl C70 butyric acid methyl fullerene (PC 70 BM) with efficiencies in excess of 7% are fabricated and the performance of four different ETL material systems based on TiO 2 , ZnO, TiO 2 /RGO, ZnO/RGO are compared to thermally evaporated optimised reference bathocuproine (BCP) PV devices. Hybrid metal oxide/RGO ETL incorporated solution processed devices show an improved device performance compared to metal oxide only devices, with the performance comparable to the thermally evaporated BCP with fill factors of 68% and short circuit currents reaching 15 mA/cm 2. The enhanced performance of the RGO incorporated hybrid ETL points the way for novel transport layers for all solution processed devices. Body Growing concerns with regards to the diminishing supply of fossil fuels and the impact of such non-renewables on global warming has made solar energy generation an important area of research. Of the many types of solar-energy converting systems, organic photovoltaics have attracted significant interest due to their low cost, light weight and the printable nature on flexible substrates. 1-2 Bulk heterojunction (BHJ) organic solar cells are one of the material systems extensively investigated for this purpose, where an electron donating conjugated polymer and an electron accepting small molecule fullerene are been blended to form the active material. 1,3 Recent breakthroughs in the development of low bandgap polymers for harvesting of photons from the red 4 to the near infrared 5. The performance of BHJ organic solar cells is driven by the following key processes: (1) absorption of a significant fraction of photons from the solar spectrum, (2) generation of

Hybrid Carbon Nanotube Networks as Efficient Hole Extraction Layers for Organic Photovoltaics

ACS Nano, 2013

Transparent, highly percolated networks of regio-regular poly(3-hexylthiophene) (rr-P3HT) wrapped... more Transparent, highly percolated networks of regio-regular poly(3-hexylthiophene) (rr-P3HT) wrapped semiconducting single walled carbon nanotubes (s-SWNT) are deposited and the charge transfer processes of these nanohybrids are studied using spectroscopic and electrical measurements. The data discloses hole doping of s-SWNTs by the polymer, challenging the prevalent electron doping hypothesis. Through controlled fabrication, high to low-density X-ray photoelectron measurements were conducted at the synchrotron beam line UE 52 PGM, Bessy II, UniversitätWürzburg,using a hemispherical SCIENTA SES 200 photoelectron energy analyzer. The base pressure in the setup was maintained below 10-10 mbar. Core level spectra of s-SWNTs and rr-P3HT/s-SWNTs was obtained using photon energies of 1250 eV and 400 eV and valence level spectra was taken using a photon energy of 125 eV. Supporting Information Available: A magnified AFM image of the nanohybrids, the response of the-hole only‖ nanohybrid incorporated device under dark and illuminated conditions, method of fabrication of hole only devices and hole mobility calculations. This material is available free of charge via the Internet at http://pubs.acs.org.

CCDC 1831602: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Engineering Tunable Single and Dual Optical Emission from Ru(II)–Polypyridyl Complexes through Excited State Design

The Journal of Physical Chemistry C

Table S1. TD-DFT/PBE0/PCM wavelengths, λ [nm] of all S 0 →T n excitations above 400 nm in [Ru(bpy... more

Role of metallophilic interactions in "turning on" substituent effects and emission tunability of novel bis-4-(2-pyridyl)-1,2,3-triazolatoplatinum(II) complexes

CCDC 2034794: Experimental Crystal Structure Determination

CCDC 1831604: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1831603: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Molecular Design of Organometallic Materials: Effect of the Metallophilic Interactions, Ligand, Metal, and Oxidation State

Quantum Systems in Physics, Chemistry, and Biology, 2017

Fig.S1 Molecular orbitals involved in the ground state to excited state transitions. S 0, Pt(LA2)... more

Synthesis of Biologically Active Heterospirocycles through Iterative 1,3-Dipolar Cycloaddition Pathways

The Journal of Organic Chemistry, 2020

We demonstrate the novel spiroannulation of exoimines with 1,3-dipoles, for the first time, leadi... more We demonstrate the novel spiroannulation of exoimines with 1,3-dipoles, for the first time, leading to 3D spirocycles with a secondary amine (NH) in the spiro-ring. The synthetic method described herein allows access to these previously unexplored heterospirocyclic cores that have application in the discovery of functional molecules for medicinal and materials science. This was demonstrated by discovering an unprecedented class of heterospirocycles with antimalarial activity against the human protozoan P. falciparum.

Molecular Design of pH-Sensitive Ru(II)–Polypyridyl Luminophores

The Journal of Physical Chemistry A, 2019

Discussion S1. Absorption properties of the deprotonated complex ions [Ru(bpy)2X] + Lowest in ene... more Discussion S1. Absorption properties of the deprotonated complex ions [Ru(bpy)2X] + Lowest in energy 1 MLCT excitations The experimental results show absorption bands at 505 nm (12PYAZ), 494 nm (13PYAZ), 480 nm (12PZAZ) and a small shoulder about 488 nm (13PZAZ). The calculations reveal that each deprotonated complex ion is characterized with two very close in energy singlet excited states-S1 and S2 (Table 1). According to the MO analysis, these excitations involve HOMO→LUMO (S1) and HOMO→LUMO+1 (S2) transitions (Figure 1-2 and SI, Table S2-S4). The HOMO of the deprotonated complex ions is localized on the Ru(II) and the azolate rings. The LUMO and LUMO+1 represent π-accepting orbitals, associated with L and the R bipyridine ligands (Scheme 1), respectively. Therefore, the S1 transition is denoted as (d-πazo)π*bpy L charge transfer, while S2 as (d-πazo)-π*bpy R charge transfer (Figure 1-2 and SI, Table S2-S4). The presence of closely lying in energy S1 and S2 excited states can be explained by the stronger interaction of Ru(II) with the R bipyridine ligand than with the L bipyridine ligand 2 519 0.

Synthesis of 1,2,4-Triazol-3-imines via Selective Stepwise Cycloaddition of Nitrile Imines with Organo-cyanamides

Organic letters, Jul 20, 2018

A convenient method for the synthesis of 1,2,4-triazol-3-imines through a selective, formal, 1,3-... more A convenient method for the synthesis of 1,2,4-triazol-3-imines through a selective, formal, 1,3-dipolar cycloaddition of organo-cyanamide ions with nitrile imine dipoles is reported. Hydrolysis of the 1,2,4-triazol-3-imines yields the corresponding 1,2,4-triazol-5-ones. A stepwise mechanism, supported by DFT calculations, is invoked to explain the reaction selectivity.

Recent Advances in Cyanamide Chemistry: Synthesis and Applications

Molecules (Basel, Switzerland), Jan 12, 2017

The application of alkyl and aryl substituted cyanamides in synthetic chemistry has diversified m... more The application of alkyl and aryl substituted cyanamides in synthetic chemistry has diversified multi-fold in recent years. In this review, we discuss recent advances (since 2012) in the chemistry of cyanamides and detail their application in cycloaddition chemistry, aminocyanation reactions, as well as electrophilic cyanide-transfer agents and their unique radical and coordination chemistry.

Relationship between Metallophilic Interactions and Luminescent Properties in Pt(II) Complexes: TD-DFT Guide for the Molecular Design of Light-Responsive Materials

The Journal of Physical Chemistry C, 2016

DFT/TD-DFT investigation has been performed on pyridyl triazolatoplatinum(II) complexes with a sy... more DFT/TD-DFT investigation has been performed on pyridyl triazolatoplatinum(II) complexes with a systematic variation of the donor/acceptor properties of the ligand in order to illuminate its effect on the metallophilic intermolecular interaction in ground and excited states. The π-electronic properties of the pyridyl triazolate ligand were modified by the pyridine substituent: −N(CH3)2, −H, −CHO, or −CHC(CN)2. The simulations reveal that the donor/acceptor strength of the substituent has a strong impact on the metallophilic interaction in the excited state and affects the emission properties at the supramolecular level. The theoretically derived structure–property relationships are corroborated by experimental data. Finally, it is proposed that the modification of the π-electronic character of the substituent (ligand field) can be applied in the molecular design of smart luminescent materials with light-driven metallophilic interactions.

High efficiency air stable organic photovoltaics with an aqueous inorganic contact

Nanoscale, 2015

We report a ZnO interfacial layer based on an environmentally friendly aqueous precursor for orga... more We report a ZnO interfacial layer based on an environmentally friendly aqueous precursor for organic photovoltaics. Inverted PCDTBT devices based on this precursor show power conversion efficiencies of 6.8-7%. Unencapsulated devices stored in air display prolonged lifetimes extending over 200 hours with less than 20% drop in efficiency compared to devices based on the standard architecture. † Electronic supplementary information (ESI) available: Experimental methods, performance of standard architecture, inverted architecture with TiO x interlayer, onset of s-curves for the standard architecture, photoluminescence of the ZnO film, field effect characteristics of the ZnO thin films, thermogravimetric analysis of ZnO.

The Role of Substituent Effects in Tuning Metallophilic Interactions and Emission Energy of Bis-4-(2-pyridyl)-1,2,3-triazolatoplatinum(II) Complexes

Angewandte Chemie International Edition, 2015

The photoluminescence spectra of a series of 5-substituted pyridyl-1,2,3-triazolato Pt(II) homole... more The photoluminescence spectra of a series of 5-substituted pyridyl-1,2,3-triazolato Pt(II) homoleptic complexes show weak emission tunability (ranging from λ=397-408 nm) in dilute (10(-6) M) ethanolic solutions at the monomer level and strong tunability in concentrated solutions (10(-4) M) and thin films (ranging from λ=487-625 nm) from dimeric excited states (excimers). The results of density functional calculations (PBE0) attribute this &amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;quot;turn-on&amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;amp;quot; sensitivity and intensity in the excimer to strong Pt-Pt metallophilic interactions and a change in the excited-state character from singlet metal-to-ligand charge transfer ((1) MLCT) to singlet metal-metal-to-ligand charge transfer ((1) MMLCT) emissions in agreement with lifetime measurements.

Solution processed reduced graphene oxide/metal oxide hybrid electron transport layers for highly efficient polymer solar cells

Journal of Materials Chemistry A, 2013

The solution to the all polymer solar cell that breaks the 10% efficiency barrier keeps getting c... more The solution to the all polymer solar cell that breaks the 10% efficiency barrier keeps getting closer, with ever more scrutiny on each component in the active device for better performance. Much effort has been expended on the hole transport layers and photo-active polymer blends in these solution deposited photovoltaic cells. In this study we examine the merits of incorporating solution deposited metal oxide and hybrid metal oxide/reduced graphene oxide (RGO) based electron transport layers (ETL) with a view to providing further improvements to the PV cell architecture. Low bandgap active layer blends of [3,4b]thiophene/benzodithiophene (PTB7) and [6,6]-phenyl C70 butyric acid methyl fullerene (PC 70 BM) with efficiencies in excess of 7% are fabricated and the performance of four different ETL material systems based on TiO 2 , ZnO, TiO 2 /RGO, ZnO/RGO are compared to thermally evaporated optimised reference bathocuproine (BCP) PV devices. Hybrid metal oxide/RGO ETL incorporated solution processed devices show an improved device performance compared to metal oxide only devices, with the performance comparable to the thermally evaporated BCP with fill factors of 68% and short circuit currents reaching 15 mA/cm 2. The enhanced performance of the RGO incorporated hybrid ETL points the way for novel transport layers for all solution processed devices. Body Growing concerns with regards to the diminishing supply of fossil fuels and the impact of such non-renewables on global warming has made solar energy generation an important area of research. Of the many types of solar-energy converting systems, organic photovoltaics have attracted significant interest due to their low cost, light weight and the printable nature on flexible substrates. 1-2 Bulk heterojunction (BHJ) organic solar cells are one of the material systems extensively investigated for this purpose, where an electron donating conjugated polymer and an electron accepting small molecule fullerene are been blended to form the active material. 1,3 Recent breakthroughs in the development of low bandgap polymers for harvesting of photons from the red 4 to the near infrared 5. The performance of BHJ organic solar cells is driven by the following key processes: (1) absorption of a significant fraction of photons from the solar spectrum, (2) generation of

Hybrid Carbon Nanotube Networks as Efficient Hole Extraction Layers for Organic Photovoltaics

ACS Nano, 2013

Transparent, highly percolated networks of regio-regular poly(3-hexylthiophene) (rr-P3HT) wrapped... more Transparent, highly percolated networks of regio-regular poly(3-hexylthiophene) (rr-P3HT) wrapped semiconducting single walled carbon nanotubes (s-SWNT) are deposited and the charge transfer processes of these nanohybrids are studied using spectroscopic and electrical measurements. The data discloses hole doping of s-SWNTs by the polymer, challenging the prevalent electron doping hypothesis. Through controlled fabrication, high to low-density X-ray photoelectron measurements were conducted at the synchrotron beam line UE 52 PGM, Bessy II, UniversitätWürzburg,using a hemispherical SCIENTA SES 200 photoelectron energy analyzer. The base pressure in the setup was maintained below 10-10 mbar. Core level spectra of s-SWNTs and rr-P3HT/s-SWNTs was obtained using photon energies of 1250 eV and 400 eV and valence level spectra was taken using a photon energy of 125 eV. Supporting Information Available: A magnified AFM image of the nanohybrids, the response of the-hole only‖ nanohybrid incorporated device under dark and illuminated conditions, method of fabrication of hole only devices and hole mobility calculations. This material is available free of charge via the Internet at http://pubs.acs.org.

CCDC 1831602: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Engineering Tunable Single and Dual Optical Emission from Ru(II)–Polypyridyl Complexes through Excited State Design

The Journal of Physical Chemistry C

Table S1. TD-DFT/PBE0/PCM wavelengths, λ [nm] of all S 0 →T n excitations above 400 nm in [Ru(bpy... more