Gated single molecular device and logic gate design von Hariharan, R.M, Preferencial Kala, C, Janani, K, Bijo Joseph, H, Vivekananthan, S, John Thiruvadigal, D

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Tuning the electronic properties of WS2 monolayer by doping transition metals: DFT Approach von Poornimadevi, C., Preferencial Kala, C., Thiruvadigal, D. John

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Industrial zone-based harmful gas sensor using pure WS2 via doping transition metals (Co, Ni) - a DFT approach von Poornimadevi, C, Preferencial Kala, C, John Thiruvadigal, D

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PH3 gas adsorption on S and Mo vacancy MoS2 monolayer: a first principle study von Jayachandran, Meribah Jasmine, Kala C, Preferencial, Thiruvadigal D, John

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First principle analysis of toxic gas adsorption on pristine WS2 and Fe-doped WS2: Implications for gas sensing von Poornimadevi, C., Preferencial Kala, C., John Thiruvadigal, D.

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A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy von Jasmine, J. Meribah, Aadhityan, A., Preferencial kala, C., Thiruvadigal, D. John

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Theoretical investigation of spin-dependent electron transport properties of dibromobenzene based positional isomers von Aadhityan, A., Preferencial Kala, C., John Thiruvadigal, D.

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First principle study on TMR effect in A-MgO-A (A = Fe, Co and Ni) magnetic tunnel junction von A, Aadhityan, C, Preferencial Kala, D, John Thiruvadigal

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Ab Initio Study of Electronic Properties on WS2 Monolayer and Transition Metal Doped WS2 von Poornimadevi, C., Gayathri Devi, S., Preferencial Kala, C., Thiruvadigal, D. John

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Delineating the sensing analysis of discarded pencil graphite in biofuel ethanol – Experimental and theoretical validation von Renganathan, B., Krishna Rao, Subha, Poornimadevi, C., Kamath, Manjunath S., Meher Abhinav, E., Moorthy, Thrinayan, Kalai Priya, A., Preferencial Kala, C.

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The effect of electrodes on 11 acene molecular spin valve: Semi-empirical study von Aadhityan, A., Preferencial Kala, C., John Thiruvadigal, D.

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First Principle Study of Adsorption Behavior of PF5 Gas Molecule on S and Mo Vacancy MoS2 Monolayer von Meribah Jasmine, J., Preferencial Kala, C., John Thiruvadigal, D.

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Role of side groups and temperature dependent studies in a molecular device von Preferencial Kala, C., Aruna Priya, P., John Thiruvadigal, D.

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Ab Initio Study of Electronic Properties of Zigzag Graphene Nanoribbon Doped with B, N, and P von Devi, S. Gayathri, Sivasankar, K. Janani, Preferencial Kala, C., Thiruvadigal, D. John

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Electron transport analysis in positional isomers - A DFT-NEGF approach von Aadhityan, A., Preferencial kala, C., John Thiruvadigal, D.

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First Principle Study of Mo and S Vacancy Effect in Armchair and Zigzag MoS2 2D Material For Gas Sensing Application von J, Meribah Jasmine, C, Preferencial kala, D, John Thiruvadigal

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Spin-dependent electron transport analysis of benzyl alcohol and p-cresol based single molecular junction: a DFT-NEGF approach von Arivazhagan, Aadhityan, Jasmine, J. Meribah, Rajalakshmi Mohanraj, Hariharan, Sivasankar, K. Janani, Joseph, H. Bijo, Kala, C. Preferencial, Thiruvadigal, D. John

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First principle investigation of rectification effect in gold/2,5-dicholorobenzene-1,3-dithiol/gold single molecular junction von Aadhityan, A., Kala, C. Preferencial, Thiruvadigal, D. John

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Semi Empirical Approach to the Charge Transport Characteristics of Molecular Junctions von PRIYA, Aruna P., KALA, Preferencial C., THIRUVADIGAL, John D.

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Industrial zone-based harmful gas sensor using pure WS 2 via doping transition metals (Co, Ni) - a DFT approach von Poornimadevi, C, Preferencial Kala, C, John Thiruvadigal, D

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