Chemistry and Physics of Materials Unit (CPMU): Recent submissions

  • Worldwide outdoor round robin study of organic photovoltaic devices and modules 
    Madsen, Morten V.; Gevorgyan, Suren A.; Pacios, R.; Ajuria, J.; Etxebarria, I.; Kettle, Jeff; Bristow, Noel D.; Neophytou, Marios; Choulis, Stelios A.; Roman, Lucimara Stolz; Yohannes, Teketel; Cester, Andrea; Cheng, Pei; Zhan, Xiaowei; Wu, Jiang; Xie, Zhiyuan; Tu, Wei-Chen; He, Jr-Hau; Fell, Christopher J.; Anderson, Kenrick; Hermenau, Martin; Bartesaghi, Davide; Koster, L. Jan Anton; Machui, Florian; Gonzalez-Valls, Irene; Lira-Cantu, Monica; Khlyabich, Petr P.; Thompson, Barry C.; Gupta, Ritu; Shanmugam, Kiruthika; Kulkarni, G. U.; Galagan, Yulia; Urbina, Antonio; Abad, Jose; Roesch, Roland; Hoppe, Harald; Morvillo, P.; Bobeico, E.; Panaitescu, Eugen; Menon, Latika; Luo, Qun; Wu, Zhenwu; Ma, Changqi; Hambarian, Artak; Melikyan, Varuzhan; Hambsch, M.; Burn, Paul L.; Meredith, Paul; Rath, Thomas; Dunst, Sebastian; Trimmel, Gregor; Bardizza, Giorgio; Muellejans, Harald; Goryachev, A. E.; Misra, Ravi K.; Katz, Eugene A.; Takagi, Katsuhiko; Magaino, Shinichi; Saito, Hidenori; Aoki, Daisuke; Sommeling, Paul M.; Kroon, Jan M.; Vangerven, Tim; Manca, Jean; Kesters, Jurgen; Maes, Wouter; Bobkova, Olga D.; Trukhanov, Vasily A.; Paraschuk, Dmitry Yu.; Castro, Fernando A.; Blakesley, James; Tuladhar, Sachetan M.; Roehr, Jason Alexander; Nelson, Jenny; Xia, Jiangbin; Parlak, Elif Alturk; Tumay, Tulay Ash; Egelhaaf, Hans-Joachim; Tanenbaum, David M.; Ferguson, Gretta Mae; Carpenter, Robert; Chen, Hongzheng; Zimmermann, Birger; Hirsch, Lionel; Wantz, Guillaume; Sun, Ziqi; Singh, Pradeep; Bapat, Chaitnya; Offermans, Ton; Krebs, Frederik C. (Elsevier Science Bv, 2014)
    Accurate characterization and reporting of organic photovoltaic (OPV) device performance reniains one of the important challenges in the field. The large spread among the efficiencies of devices with the same structure ...
  • Solution processed sun baked electrode material for flexible supercapacitors 
    Kurra, Narendra; Kiruthika, S.; Kulkarni, G. U. (Royal Society of Chemistry, 2014)
    We report a new strategy for making electrode materials for supercapacitors based on a nanocrystalline Pd/carbon (nc-Pd/C) composite, obtained by thermolyzing a thin film of Pd hexadecylthiolate under sunlight. Thus obtained ...
  • Transparent and flexible capacitor fabricated using a metal wire network as a transparent conducting electrode 
    Gupta, Ritu; Rao, K. D. M.; Kulkarni, G. U. (Royal Society of Chemistry, 2014)
    As transparency is becoming a desirable property even in non-optoelectronic devices, there is great impetus given to alternate materials and strategies replacing the conventional ITO. Here we have used transparent Au wire ...
  • A highly crystalline single Au wire network as a high temperature transparent heater 
    Rao, K. D. M.; Kulkarni, G. U. (Royal Society of Chemistry, 2014)
    A transparent conductor which can generate high temperatures finds important applications in optoelectronics. In this article, a wire network made of Au on quartz is shown to serve as an effective high temperature transparent ...
  • Spray Coating of Crack Templates for the Fabrication of Transparent Conductors and Heaters on Flat and Curved Surfaces 
    Gupta, Ritu; Rao, K. D. M.; Srivastava, Kartikeya; Kumar, Ankush; Kiruthika, S.; Kulkarni, G. U. (American Chemical Society, 2014)
    Transparent conducting electrodes (TCEs) have been made on flat, flexible, and curved surfaces, following a crack template method in which a desired surface was uniformly spray-coated with a crackle precursor (CP) and metal ...
  • Outdoor Operational Stability of Indium-Free Flexible Polymer Solar Modules Over 1 Year Studied in India, Holland, and Denmark 
    Angmo, Dechan; Sommeling, Paul M.; Gupta, Ritu; Hosel, Markus; Gevorgyan, Suren A.; Kroon, Jan M.; Kulkarni, G. U.; Krebs, Frederik C. (Wiley-V C H Verlag Gmbh, 2014)
    We present an outdoor interlaboratory stability study of fully printed and coated indium-tin-oxide (ITO)-free polymer solar cell modules in JNCASR Bangalore (India), ECN (Holland), and DTU (Denmark) carried over more than ...
  • Metal wire network based transparent conducting electrodes fabricated using interconnected crackled layer as template 
    Kiruthika, S.; Rao, K. D. M.; Kumar, Ankush; Gupta, Ritu; Kulkarni, G. U. (IoP Publishing Ltd, 2014)
    A metal (Au) wire network, nearly invisible to the naked eye, has been realized on common substrates such as glass, to serve as a transparent conducting electrode (TCE). The process involves coating a TiO2 nanoparticle ...
  • Metal-organic molecular device for non-volatile memory storage 
    Radha, B.; Sagade, Abhay A.; Kulkarni, G. U. (American Institute of Physics, 2014)
    Non-volatile memory devices have been of immense research interest for their use in active memory storage in powered off-state of electronic chips. In literature, various molecules and metal compounds have been investigated ...
  • Nanocrystalline Ag microflowers as a versatile SERS platform 
    Mettela, Gangaiah; Siddhanta, Soumik; Narayana, Chandrabhas; Kulkarni, G. U. (Royal Society of Chemistry, 2014)
    In this paper, the synthesis of Ag microflowers for use as manipulable and reusable substrates in surface enhanced Raman spectroscopy (SERS) is demonstrated, working with ultra-low volumes of the analyte. Flower-like AgBr ...
  • Solution processed large area fabrication of Ag patterns as electrodes for flexible heaters, electrochromics and organic solar cells 
    Gupta, Ritu; Walia, Sunil; Hosel, Markus; Jensen, Jacob; Angmo, Dechan; Krebs, Frederik C.; Kulkarni, G. U. (Royal Society of Chemistry, 2014)
    A simple method for producing patterned Ag electrodes on transparent and flexible substrates is reported. The process makes use of a laser printed toner as a sacrificial template for an organic precursor, which upon ...
  • Nanocarbon-Scanning Probe Microscopy Synergy: Fundamental Aspects to Nanoscale Devices 
    Kurra, Narendra; Reifenberger, Ronald G.; Kulkarni, G. U. (American Chemical Society, 2014)
    Scanning probe techniques scanning tunneling microscopy (STM) and atomic force microscopy (AFM) have emerged as unique local probes for imaging, manipulation, and modification of surfaces at the nanoscale. Exercising the ...
  • A cracked polymer templated metal network as a transparent conducting electrode for ITO-free organic solar cells 
    Rao, K. D. M.; Hunger, Christoph; Gupta, Ritu; Kulkarni, G. U.; Thelakkat, Mukundan (Royal Society of Chemistry, 2014)
    We report a highly transparent, low resistance Ag metal network templated by a cracked polymer thin film and its incorporation in an organic solar cell. The performance of this scalable metallic network is comparable to ...
  • Self-stabilized Pt-Rh bimetallic nanoclusters as durable electrocatalysts for dioxygen reduction in PEM fuel cells 
    Narayanamoorthy, B.; Datta, K. K. R.; Eswaramoorthy, M.; Balaji, S. (Royal Society of Chemistry, 2014)
    Self-stabilized Pt-Rh nanoclusters (NCs) were prepared by using a surfactant-free chemical reduction method with formic acid as the reducing agent. The elemental composition was determined by EDX analysis. The synthesized ...
  • Glucose- and pH-Responsive Charge-Reversal Surfaces 
    Kumar, B. V. V. S. Pavan; Salikolimi, Krishnachary; Eswaramoorthy, M. (American Chemical Society, 2014)
    We have shown a pH- and glucose-responsive charge reversal on silica surface through heterogeneous functionalization utilizing amines and boronic acid moieties. The dual responsiveness of the charge reversal has been ...
  • Quantitative Prediction of Physical Properties of Imidazolium Based Room Temperature Ionic Liquids through Determination of Condensed Phase Site Charges: A Refined Force Field 
    Mondal, Anirban; Balasubramanian, Sundaram (American Chemical Society, 2014)
    Quantitative prediction of physical properties of room temperature ionic liquids through nonpolarizable force field based molecular dynamics simulations is a challenging task. The challenge lies in the fact that mean ion ...
  • Supramolecular Polymerization of Benzene-1,3,5-tricarboxamide: A Molecular Dynamics Simulation Study 
    Bejagam, Karteek K.; Fiorin, Giacomo; Klein, Michael L.; Balasubramanian, Sundaram (American Chemical Society, 2014)
    Supramolecular polymerization in the family of benzene-1,3,5-tricarboxamide (BTA) has been investigated using atomistic molecular dynamics (MD) simulations. Gas phase calculations using a nonpolarizable force field reproduce ...
  • Carbonic acid: molecule, crystal and aqueous solution 
    Reddy, Sandeep K.; Balasubramanian, Sundaram (Royal Society of Chemistry, 2014)
    Carbonic acid (CA) is a crucial species in the equilibrium between carbon dioxide, water and many minerals. Yet many of its properties have either not been studied at all, or have been misunderstood. Its short lifetime in ...
  • Intermolecular structure in tri-n-butyl phosphate/n-octane mixtures: a molecular dynamics simulation study 
    Mondal, Anirban; Balasubramanian, Sundaram (Indian Academy of Sciences, 2014)
    Tri-n-butyl phosphate (TBP) is an important extractant for heavy metal ions. The microscopic structure of TBP/n-octane mixtures as a function of concentration of TBP is examined through atomistic molecular dynamics ...
  • Charge-transfer complexation between naphthalene diimides and aromatic solvents 
    Kulkarni, Chidambar; Periyasamy, Ganga; Balasubramanian, Sundaram; George, Subi Jacob (Royal Society of Chemistry, 2014)
    Naphthalene diimides (NDIs) form emissive ground-state charge-transfer (CT) complexes with various electron rich aromatic solvents like benzene, o-xylene and mesitylene. TD-DFT calculation of the complexes suggests CT ...
  • A Molecular Dynamics Study of Collective Transport Properties of Imidazolium-Based Room-Temperature Ionic Liquids 
    Mondal, Anirban; Balasubramanian, Sundaram (American Chemical Society, 2014)
    Transport properties of five room-temperature ionic liquids based on the 1-butyl-3-methylimidazolium cation with any of the following anions, [PF6](-), [BF4](-), [CF3SO3](-), [NTf2](-), and [NO3](-), were determined from ...

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