Browsing NTNU Open by Author "Venkatraman, Vishwesh"
Now showing items 21-25 of 25
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Rapid, comprehensive screening of ionic liquids towards sustainable applications
Venkatraman, Vishwesh; Evjen, Sigvart; Kallidanthiyil Chellappan, Lethesh; Raj, Jaganathan Joshua; Knuutila, Hanna K; Fiksdahl, Anne (Peer reviewed; Journal article, 2019)A computational screening strategy applied to 8 million synthetically diverse ionic liquids, demonstrates its value for sustainable solvent design. In contrast to previous studies which have largely focused on single ... -
Synthesis of Novel 3,6-Dithienyl Diketopyrrolopyrrole Dyes by Direct C‒H Arylation
Yemene, Amsalu Efrem; Venkatraman, Vishwesh; Almenningen, David Moe; Gautun, Odd Reidar; Hoff, Bård Helge (Peer reviewed; Journal article, 2020)Direct C-H arylation coupling is potentially a more economical and sustainable process than conventional cross-coupling. However, this method has found limited application in the synthesis of organic dyes for dye-sensitized ... -
TD-DFT based fine-tuning of molecular excitation energies using evolutionary algorithms
Abburu, Sailesh; Venkatraman, Vishwesh; Alsberg, Bjørn Kåre (Journal article; Peer reviewed, 2016)An evolutionary de novo design method is presented to fine-tune the excitation energies of molecules calculated using time-dependent density functional theory (TD-DFT). The approach is applied to a π-conjugated molecular ... -
The dye-sensitized solar cell database
Venkatraman, Vishwesh; Raju, Rajesh; Economopoulos, Solon; Alsberg, Bjørn Kåre (Journal article; Peer reviewed, 2018)Dye-sensitized solar cells (DSSCs) have garnered a lot of attention in recent years. The solar energy to power conversion efficiency of a DSSC is influenced by various components of the cell such as the dye, electrolyte, ... -
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents
Venkatraman, Vishwesh; Evjen, Sigvart; Lethesh, Kallidanthiyil Chellappan (Journal article; Peer reviewed, 2019)Ionic liquids have a broad spectrum of applications ranging from gas separation to sensors and pharmaceuticals. Rational selection of the constituent ions is key to achieving tailor-made materials with functional properties. ...