Publications

2023

[69] Pooja Sindhu, K. S. Ananthram, Anil Jain, Kartick Tarafder & Nirmalya Ballav “ Insulator-to-metal-like transition in thin films of a biological metal-organic framework” Nature Communications 2023, Vol 14, page: 2857, doi :10.1038/s41467-023-38434-4 )[IF: 17.69 ]

[68]Subhasmita Ray and Kartick Tarafder*, Validation of ZnTe as back surface field layer for CdTe solar cells: A combined experimental and theoretical study Materials Science and Engineering B 2023 Vol 295, page:, 116548, [IF: 3.407 ]

[67] Subhasmita Ray and Kartick Tarafder* “Investigation of CdSe and ZnSe as Potential Back Surface Field Layers for CdTe‐Based Solar Cells: A Study from First Principles Calculations” Advanced Theory and Simulations 2023, Vol:6, page: 2200718 doi.org/10.1002/adts.202200718 [IF: 4.105 ]

2022

[66] Pooja Sindhu, KS Ananthram, Anil Jain, Kartick Tarafder, Nirmalya Ballav “Charge-transfer interface of insulating metal-organic frameworks with metallic conduction” Nature Communications, Volume :13 Issue: 1 Pages:1-10 (2022)[IF: 17.69 ]

[65] CH Prashanth, Indukuru Ramesh Reddy, Kartick Tarafder, D Chandrasekhar Kakarla, HD Yang, Venimadhav Adyam, Krishnamurthy Jyothinagaram. “Magnetic complexity, magnetodielectric effect and DFT calculations on correlation driven Gd2CoMnO6 insulator ” Journal of Magnetism and Magnetic Materials Vol 563, page: 169880 (2022) [IF: 2.683 ]

[64]Nayana Devaraj and Kartick Tarafder*  “Spin-Transport through Van der Waals Heterojunctions Based on 2D-Ferromagnet and Transition Metal Dichalcogenides: A Study from First-Principles Calculations” Advanced theory and simulations (accepted: June 2022 ) doi: https://doi.org/10.1002/adts.202200178

[63]Soumitra Payra, Nayana Devaraj, Kartick Tarafder, Sounak Roy  “Unprecedented Electroreduction of CO2 over Metal Organic Framework-Derived Intermetallic Nano-Alloy Cu0.85Ni0.15/C” ACS Appl. Energy Mater. Vol- 5, Issue: 4, 4945–4955 (2022)

[62] Subhasmita Ray, Biswajit Barman, C Darshan, Kartick Tarafder, Kasturi V Bangera  “ZnSxSe1− x thin films: A study into its tunable energy band gap property using an experimental and theoretical approach” Solar Energy Vol-240, Pages 140-146 (2022)

[61] Soumitra Payra, Subhasmita Ray, Ruchi Sharma, Kartick Tarafder, Paritosh Mohanty, and Sounak Roy, “ Photo- and Electrocatalytic Reduction of CO2 over Metal–Organic Frameworks and Their Derived Oxides: A Correlation of the Reaction Mechanism with the Electronic Structure”  Inorg. Chem. Vol- 61( 5), Pages 2476–2489 (2022) [IF: 5.165]

[60] Saraswati Roy, Nayana Devaraj, Kartick Tarafder, Chanchal Chakraborty, and Sounak Roy “The role of synthesisvis-à-vis the oxygen vacancies of Co3O4 in the oxygen evolution reaction” New J. Chem (accepted and online 2022) DOI: 10.1039/D2NJ00219A [IF: 3.591]

2021 

[59] Indukuru Ramesh Reddy and Kartick Tarafder* “Understanding and tuning of spinterface for chemisorbed Ni-dinuclear quinonoid on Co(001) substrate”  J. Phys.: Condens. Matter, vol-33 Pages-355501 (2021) [IF: 2.333 ]

[58] T Sruthi, Nayana Devaraj, Kartick Tarafder* “Theoretical investigation of quantum capacitance in the functionalized MoS2-monolayer”, Electronic Structure Vol-3(2), Pages-025003 (2021) [IF: ]

[57] Nayana Devaraj, Kartick Tarafder*, “Large magnetoresistance in a Co/MoS2/Graphene/MoS2/Co magnetic tunnel junction” Physical Review B Vol-103(16) Pages-165407 (2021) [IF: 4.036]

[56] Sulakshana Shenoy, Kartick Tarafder*, Kishore Sridharan “Bimetallic nanoparticles grafted ZnO hierarchical structures as efficient visible light driven photocatalyst: An experimental and theoretical study” Journal of Molecular Structure Vol-1236, Pages-130355 (2021) [IF: 3.196 ]

[55] Nasir Ali, Budhi Singh, Vijaya AR, Surender Lal, CS Yadav, Kartick Tarafder, Subhasis Ghosh “Ferromagnetism in Mn-Doped ZnO: A Joint Theoretical and Experimental Study” The Journal of Physical Chemistry C Vol-125(14) Pages-7734(2021)[IF: 4.126]

[54] Bindu Antil, Lakshya Kumar, Ravi Ranjan, Sulakshana Shenoy, Kartick Tarafder, Chinnakonda S Gopinath, Sasanka Deka “One-Dimensional Multichannel g-C3N4.7 Nanostructure Realizing an Efficient Photocatalytic Hydrogen Evolution Reaction and Its Theoretical Investigations”  ACS Applied Energy Materials Vol-4(4) Pages-3118 (2021) [IF: 6.024]

[53] Komalakrushna Hadagalli, Sulakshana Shenoy, Kaushal R Shakya, Kartick Tarafder, Saumen Mandal, Bikramjit Basu, “Effect of Fe3+ substitution on the structural modification and band structure modulated UV absorption of hydroxyapatite.” International Journal of Applied Ceramic Technology Vol-18(2), Pages-332 [IF: 1.8 ]

[52] Indukuru Ramesh Reddy, Peter M. Oppeneer and Kartick Tarafder*. “Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer” Journal of Magnetism and Magnetic Materials Vol. 524, Pages 167637 (2021) [IF: 2.683 ]

[51] Sruthi T and Kartick Tarafder*. “Enhanced quantum capacitance in chemically modified graphene electrodes: Insights from first principles electronic structures calculations”  Physica B: condensed Matter vol. 604 page: 412676 (2021) [IF: 1.88]

[50] Nayana Devaraj and Kartick Tarafder*. “Spin transport through metal-dichalcogenides layers: A study from first-principles calculations”.  J. Physics: Condensed Matter Vol:33 , page:065505(2021) [IF: 2.707]

2020 

[49] Indukuru Ramesh Reddy, Kartick Tarafder*. “Theoretical Investigations of Electronic Structure and Magnetic and Optical Properties of Transition-Metal Dinuclear Molecules”  ACS Omega, vol: 5(38), page: 24520 (2020) [IF: 2.87] 

[48] Ido Azuri, Md Ehesan Ali, Kartick Tarafder, Peter M Oppeneer, and Leeor Kronik. “Feporphyrin on co (001) and cu (001): A comparative dispersion-augmented density functional theory study.” Israel Journal of Chemistry, vol: 60, page: 870(2020). (doi:10.1002/ijch.201900123 ) [IF: 2.08]

[47] T Jairam, N Verma, K Tarafder, and V Sivakumar. “Phenanthroimidazole based chromophores for organic light emitting diodes: Synthesis, photophysical and theoretical study.” Luminescence, 1– 12. (2020). (doi: 10.1002/bio.3896) [IF: 1.452]

[46] Soumitra Payra, Sulakshana Shenoy, Chanchal Chakraborty, Kartick Tarafder, and Sounak Roy. “Structure-sensitive electrocatalytic reduction of co2 to methanol over carbon-supported intermetallic PtZn nano-alloys.”  ACS Applied Materials & Interfaces, vol-12(17) page:19402–19414, (2020). [IF: 8.758]

[45] Sulakshana Shenoy and Kartick Tarafder*. “Enhanced photocatalytic efficiency of layered cds/cdse heterostructures: Insights from first principles electronic structure calculations.” Journal of Physics: Condensed Matter, vol:32(27), page:275501, (2020). [IF: 2.707]

[44] Sulakshana Shenoy, Kartick Tarafder, and Kishore Sridharan. “Graphitic C3N4/CdS composite photocatalyst: Synthesis, characterization and photodegradation of methylene blue under visible light.” Physica B: Condensed Matter, vol-595, page 412367, (2020). [IF: 1.88]

[43] Nasir Ali, Budhi Singh, Zaheer Ahmed Khan, AR Vijaya, Kartick Tarafder, and Subhasis Ghosh. “Origin of ferromagnetism in Cu-doped ZnO.” Scientific reports, vol:9 , page:2461( 2019). [IF: 3.998]

2019

[42] Nasir Ali, AR Vijaya, Zaheer Ahmed Khan, Kartick Tarafder, Anuvesh Kumar, Manoj K Wadhwa, Budhi Singh, and Subhasis Ghosh. “Ferromagnetism from non-magnetic ions: Ag doped ZnO.” Scientific Reports, vol:9(1), page: 20039 (2019). [IF: 3.998] 

[41] B Sachin Kumar, Kartick Tarafder, Akshatha R Shetty, A Chitharanjan Hegde, Visweswara C Gudla, Rajan Ambat, Sreeram K Kalpathy, and S Anandhan. “Polymorph nickel titanate nanofibers as bifunctional electrocatalysts towards hydrogen and oxygen evolution reactions.”  Dalton Transactions, vol-48(33), page:12684–12698, 2019. [IF: 4.052]

[40] Indukuru Ramesh Reddy, Peter M Oppeneer, and Kartick Tarafder*. “Interfacial spin manipulation of nickel-quinonoid complex adsorbed on co (001) substrate.” Magnetochemistry, vol:5(1), page:2, 2019. [IF: 1.947]

[39] Sruthi T and Kartick Tarafder*. “Route to achieving enhanced quantum capacitance in functionalized graphene based supercapacitor electrodes.” Journal of Physics: Condensed Matter,vol: 31(47), page:475502, 2019. [IF: 2.707]

[38] Sruthi T and Kartick Tarafder*. “Enhancement of quantum capacitance by chemical modification of graphene supercapacitor electrodes: a study by first principles.” Bulletin of Materials Science, vol:42(6), page:257, (2019). [IF: 1.39]

2018 

[37] Sunil Kumar Nechipadappu, Indukuru Ramesh Reddy, Kartick Tarafder, and Darshak R Trivedi. “Salt/cocrystal of anti-fibrinolytic hemostatic drug tranexamic acid: Structural, DFT, and stability study of salt/cocrystal with GRAS molecules.”  Crystal Growth & Design, vol:19(1), page:347–361, (2018). [IF: 4.153]

[36] Soumitra Payra, Swapna Challagulla, Ramesh Reddy Indukuru, Chanchal Chakraborty,  Kartick Tarafder, Balaram Ghosh, and Sounak Roy. “The structural and surface modification of zeolitic imidazolate frameworks towards reduction of encapsulated CO2.”  New Journal of Chemistry, vol:42(23), page:19205–19213, (2018). [IF: 3.288]

[35] Indukuru Ramesh Reddy, Peter M Oppeneer, and Kartick Tarafder*. “Route to achieving giant magnetoelectric coupling in BaTiO3/Sr2CoO3F perovskite heterostructures.”  Physical Review B, vol: 98(14), page:140401, (2018). [IF: 3.720]

2017

[34] Swapna Challagulla, Kartick Tarafder, Ramakrishnan Ganesan, and Sounak Roy. “All that glitters is not gold: a probe into photocatalytic nitrate reduction mechanism over noble metal doped and undoped TiO2.” The Journal of Physical Chemistry C, vol:121(49), page:27406–27416, (2017). [IF: 4.189]

[33] Swapna Challagulla, Kartick Tarafder, Ramakrishnan Ganesan, and Sounak Roy. “Structure sensitive photocatalytic reduction of nitroarenes over TiO2.” Scientific reports, vol:7(1), page:8783, (2017). [IF: 3.998]

[32] Pavan Pujar, Srinivas Gandla, Mukesh Singh, Bikesh Gupta, Kartick Tarafder, Dipti Gupta, Yong-Young Noh, and Saumen Mandal. “Development of low temperature stoichiometric solution combustion derived transparent conductive ternary zinc tin co-doped indium oxide electrodes.”  RSC advances, vol-7(76), page:48253–48262, (2017). [IF: 3.07]

[31] P Srikala, Kartick Tarafder, and Darshak R Trivedi. “Design and synthesis of a new organic receptor and evaluation of colorimetric anion sensing ability in organo-aqueous medium.” Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol-170, page:29–38, (2017). [IF: 2.931]

[30] Hidayath Ulla, M Raveendra Kiran, B Garudachari, TN Ahipa, Kartick Tarafder, Airody Vasudeva Adhikari, G Umesh, and M. N. Satyanarayan. “Blue emitting 1, 8-naphthalimides with electron transport properties for organic light emitting diode applications.”  Journal of Molecular Structure, vol:1143, page:344–354, (2017). [IF: 2.011]

2016

[29] Barun Dhara, Kartick Tarafder, Plawan K Jha, Soumendra N Panja, Sunil Nair, Peter M Oppeneer, and Nirmalya Ballav. “Possible room-temperature ferromagnetism in self-assembled ensembles of paramagnetic and diamagnetic molecular semiconductors.”  The journal of physical chemistry letters, vol:7(24), page:4988–4995, (2016). [IF: 6.71]

[28] P Srikala, Kartick Tarafder, A Nityananda Shetty, and Darshak R Trivedi. “Insights into the electrooptical anion sensing properties of a new organic receptor: solvent dependent chromogenic response and dft studies.”  RSC advances, vol:6(78), page:74649–74653, (2016). [IF: 3.07]

2015

[27] Sercan Babakiray, Trent A Johnson, Pavel Borisov, Mikel B Holcomb, David Lederman, Matthew A Marcus, and Kartick Tarafder. “Structural properties of Bi 2- x Mn xSe3 thin films grown via molecular beam epitaxy.” Journal of Applied Physics, vol:118(4), page:045302, (2015). [IF: 2.328]

2014

[26] Jan Girovsky, Kartick Tarafder, Christian W¨ackerlin, Jan Nowakowski, Dorota Siewert, Tatjana Hählen, Aneliia W¨ackerlin, Armin Kleibert, Nirmalya Ballav, Thomas A Jung and Peter M Oppeneer. “ Antiferromagnetic coupling of Cr-porphyrin to a bare co substrate.”  Physical Review B, vol:90(22), page:220404, (2014). [IF: 3.720]

[25] Kartick Tarafder, Yogesh Surendranath, Jacob H Olshansky, A Paul Alivisatos, and Lin-Wang Wang. “Hole transfer dynamics from a cdse/cds quantum rod to a tethered ferrocene derivative.”  Journal of the American Chemical Society, vol:136(13), page:5121–5131, (2014). [IF: 14.617]

2013

[24] Christian F Hermanns, Kartick Tarafder, Matthias Bernien, Alex Kr¨uger, Yin-Ming Chang, Peter M Oppeneer, and Wolfgang Kuch. “Magnetic coupling of porphyrin molecules through graphene.” Advanced Materials, vol:25(25), page:3473–3477, (2013). [IF: 27.398]

[23] Christian Wäckerlin, Kartick Tarafder, Jan Girovsky, Jan Nowakowski, Tatjana Hählen, Aneliia Shchyrba, Dorota Siewert, Armin Kleibert, Frithjof Nolting, Peter M Oppeneer, Thomas A Jung and Nirmalya Ballav. “Ammonia coordination introducing a magnetic moment in an on-surface low-spin porphyrin.” Angewandte Chemie, vol:125(17), page:4666–4669, (2013). [IF: 12.959]

[22] A P Weber, A N Caruso, E Vescovo, Md. E. Ali, Kartick Tarafder, S. Z. Janjua, J. T. Sadowski, and Peter M. Oppeneer. “Magnetic coupling of fe-porphyrin molecules adsorbed on clean and c (2×2) oxygen-reconstructed co (100) investigated by spin-polarized photoemission spectroscopy.”  Physical Review B, vol:87(18), page:184411, (2013). [IF: 3.720]

2012

[21] K Hild, G Schönhense, HJ Elmers, T Nakagawa, T Yokoyama, Kartick Tarafder, and Peter M Oppeneer. “Dominance of the first excitation step for magnetic circular dichroism in nearthreshold two-photon photoemission.” Physical Review B, vol:85(1), page:014426, (2012). [IF: 3.720]

[20] Stefan Lach, Anna Altenhof, Katrick Tarafder, Felix Schmitt, Ehesan Ali, Michael Vogel, Jens Sauther, Peter M Oppeneer, and Christiane Ziegler. “Metal–organic hybrid interface states of a ferromagnet/organic semiconductor hybrid junction as basis for engineering spin injection in organic spintronics.” Advanced Functional Materials, vol:22, page: 989-997, (2012). [IF: 16.836]

[19] TP Sinha, Alo Dutta, Sonali Saha, Kartick Tarafder, Biplab Sanyal, Olle Eriksson, and Abhijit Mookerjee. “Electronic structure and optical properties of ordered compounds potassium tantalate and potassium niobate and their disordered alloys.”  Physica B: Condensed Matter, vol:407(24), page:4615–4621, (2012). [IF: 1.88]

[18] Kartick Tarafder, S Kanungo, Peter M Oppeneer, and T Saha-Dasgupta. “Pressure and temperature control of spin-switchable metal-organic coordination polymers from ab initio calculations.” Physical review letters, vol: 109(7), page:077203, (2012). [IF: 8.385]

[17] Christian Wäckerlin, Kartick Tarafder, Dorota Siewert, Jan Girovsky, Tatjana H¨ahlen, Cristian Iacovita, Armin Kleibert, Frithjof Nolting, Thomas A Jung, Peter M Oppeneer and Nirmalya Ballav. “On-surface coordination chemistry of planar molecular spin systems: novel magnetochemical effects induced by axial ligands.” Chemical Science, vol:3(11), page:3154–3160, (2012). [IF: 9.346]

2011

[16] Barbara Brena, Carla Puglia, Monica de Simone, Marcello Coreno, Kartick Tarafder, Vitaly Feyer, Rudra Banerjee, Emmanuelle G¨othelid, Biplab Sanyal, Peter M Oppeneer, et al. “Valence-band electronic structure of iron phthalocyanine: An experimental and theoretical photoelectron spectroscopy study.” The Journal of chemical physics, vol:134(7), page:074312, (2011). [IF: 2.991]

[15] D Chylarecka, TK Kim, Kartick Tarafder, K Muller, K Godel, I Czekaj, C Wackerlin,  M Cinchetti, Md E Ali, C Piamonteze, et al. “Indirect magnetic coupling of manganese porphyrin to a ferromagnetic cobalt substrate.” The Journal of Physical Chemistry C, vol:115(4), page:1295–1301, (2011). [IF: 4.189]

[14] Moshiour Rahaman, Kartick Tarafder, Biplab Sanyal, and Abhijit Mookerjee. “Study of optical response in disordered alloys using the generalized recursion in augmented space: Application to ferromagnetic feco alloy.”  Physica B: Condensed Matter, vol:406(11), page:2121–2125, (2011). [IF: 1.88]

[13] Soumyajit Sarkar, Kartick Tarafder, Peter M Oppeneer, and Tanusri Saha-Dasgupta. “Spincrossover in cyanide-based bimetallic coordination polymersinsight from first-principles calculations.” Journal of Materials Chemistry,vol: 21(36), page:13832–13840, (2011). [IF: 6.626]

2010

[12] Kerstin Hild, Gerd Sch¨onhense, Hans-Joachim Elmers, Takeshi Nakagawa, Toshihiko Yokoyama, Kartick Tarafder, and Peter M Oppeneer. “Energy-and angle-dependent threshold photoemission magnetic circular dichroism from an ultrathin co/pt (111) film.” Physical Review B, vol:82(19), page:195430, (2010). [IF: 3.720]

[11] Kartick Tarafder, Biplab Sanyal, and Peter M Oppeneer. “Charge-induced spin polarization in nonmagnetic organic molecule Alq3.” Physical Review B, vol:82(6), page:060413, (2010). [IF: 3.720]

2004-2009

[10] Shreemoyee Ganguly, A Venkatasubramanian, Kartick Tarafder, Indra Dasgupta, and Abhijit Mookerjee. “Augmented space recursion study of the effect of disorder on superconductivity.” Physical Review B, vol: 79(22), page:224204, (2009). [IF: 3.720]

[9] Kartick Tarafder and Abhijit Mookerjee. “An augmented space approach to the study of random ternary alloys: II. optical response.” Journal of Physics: Condensed Matter, vol: 21(19), page:195504, (2009). [IF: 2.707]

[8] Abhijit Mookerjee, Kartick Tarafder, Atisdipankar Chakrabarti, and Kamal Krishna Saha. “Short-range order and its effect on the electronic structure of binary alloys: CuZn, a case study.” Pramana, vol:70(2), page:221–235, (2008). [IF: 1.688]

[7] Kartick Tarafder, Subhradip Ghosh, Biplab Sanyal, Olle Eriksson, Abhijit Mookerjee, and Atisdipankar Chakrabarti. “Electronic and magnetic properties of disordered Fe–Cr alloys using different electronic structure methods.” Journal of Physics: Condensed Matter, vol:20(44), page:445201, (2008). [IF: 2.707]

[6] Kartick Tarafder, Moshiour Rahaman, Durga Paudyal, Biplab Sanyal, Olle Eriksson, and Abhijit Mookerjee. “Study of phase stability in a class of binary alloys using augmented space recursion based orbital peeling technique.” Physica B: Condensed Matter, vol:403(21-22), page:4111–4119, (2008). [IF: 1.88]

[5] Assa Aravindh, Artoto Arkundato, Sonali Barman, Stefano Baroni, BL Bhargava, KRS Chandrakumar, Wei Chen, Roby Cherian, Andrea Dal Corso, Soumendu Datta, et al. “SixC1- xO2 alloys: A possible route to stabilize carbon-based silica-like solids?” Solid state communications, vol:144(7-8), page:273–276, (2007). [IF: 1.458]

[4] Uday Kumar, PK Mukhopadhyay, Biplab Sanyal, Olle Eriksson, Per Nordblad, Durga Paudyal, Kartick Tarafder, and Abhijit Mookerjee. “Experimental and theoretical study of annealed ni-pt alloys.”  Physical Review B, vol:74(6), page:064401, (2006). [IF: 3.720]

[3] Kartick Tarafder, Atisdipankar Chakrabarti, Kamal Krishna Saha, and Abhijit Mookerjee. “Effect of short-range order on the electronic structure and optical properties of the CuZn alloys: An augmented space approach.” Physical Review B, vol:74(14), page:144204, (2006) [IF: 3.720]

[2] Kartick Tarafder, Tapas Mitra, and A Mookerjee. “Electronic transmission in disordered systems: A mode based formulation.” Physica B: Condensed Matter, vol: 371(1), page:100–106, (2006). [IF: 1.88]

[1] Kartick Tarafder and Abhijit Mookerjee. “Optical conductivity in disordered alloys: an approach via the augmented space recursion.” Journal of Physics: Condensed Matter, vol:17(41), page:6435, 2005. [IF: 2.707]

Conference Papers:

[2] Subhasmita Ray, Kasturi V Bangera, Kartick Tarafder. “Synthesis and characterization of Cu doped CdTe thin films for solar cell application” Materials Today: Proceedings doi: 10.1016/j.matpr.2020.08.528 

[1] Kartick Tarafder, Kamal K Saha, Aftab Alam, and Abhijit Mookerjee. “Response functions in disordered alloys: an approach via the augmented space recursion.” Journal of Physics: Conference Series, volume 29, pages 27–38, (2006)