First-principles calculations to investigate structural and electronic properties of novel halides ZrIX (X = Cl, Br) for photovoltaic application von Naik, Yashasvi, Mehta, Disha, Parmar, P.R., Thakor, P.B.

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A theoretical investigation on optoelectronic and photocatalytic behaviour of Janus X-Ga-Al-Y (X, YS and Te) monolayers von Mehta, Disha, Naik, Yashasvi, Modi, Nidhi, Parmar, P.R., Thakor, P.B.

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Impact of Strain on Electronic and Optical Properties of MgClBr Monolayer: First-principle Calculation von Naik, Yashasvi, Mehta, Disha, Parmar, P.R., Thakor, P.B.

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Optoelectronic properties of 2D heterojunction ZrO2– MoS2 material using first-principles calculations von Patel, V.R., Patel, Abhishek, Sonvane, Yogesh, Thakor, P.B.

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A computational study on strain dependent photocatalytic activity of Janus Ga-Al-X-Se (X = S and Se) monolayers von Mehta, Disha, Naik, Yashasvi, Modi, Nidhi, Parmar, P.R., Thakor, P.B.

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Bulk and monolayer As2S3 as promising thermoelectric material with high conversion performance von Patel, Abhishek, Singh, Deobrat, Sonvane, Yogesh, Thakor, P.B., Ahuja, Rajeev

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Theoretical investigations of asymmetric functionalized Y2C-based MXene monolayers von Modi, Nidhi, Naik, Yashasvi, Khengar, S.J., Jariwala, P.H., Shah, D.B., Thakor, P.B.

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Pressure Induced Structural, Electronic and Optical Properties of Sc2CBr2 MXene Monolayer: A Density Functional Approach von Modi, Nidhi, Naik, Yashasvi, Khengar, S.J., Shah, D.B., Thakor, P.B.

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A comparative study of structural, mechanical, electronic and optical properties of InTe monolayer & homo-bilayer von Khengar, S.J., Parmar, P.R., Modi, Nidhi, Thakor, P.B.

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Strain Engineering of ScYCCl2 MXene Monolayer and Intercalation of Metal-ions on MXene Surface: A DFT Study von Modi, Nidhi, Naik, Yashasvi, Khengar, S.J., Mahida, H.R., Shah, D.B., Thakor, P.B.

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MgF2 monolayer as an anti-reflecting material von Mahida, H.R., Singh, Deobrat, Sonvane, Yogesh, Gupta, Sanjeev K., Thakor, P.B.

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Strain dependent electronic transport of pristine Si and Ge nanowires von Jariwala, P.H., Sonavane, Y.A., Thakor, P.B., Gupta, Sanjeev K.

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Structural and electrical properties of CeO2 monolayers using first-principles calculations von Patel, V.R., Somaiya, Radha N., Kansara, Shivam, Singh, Deobrat, Prajapati, Nishant, Sonvane, Yogesh, Thakor, P.B., Gupta, Sanjeev K.

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Strain dependent structural and electronic properties of two-dimensional janus In2SeTe monolayer von Khengar, S.J., Parmar, P.R., Thakor, P.B.

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Structural And Electronic Properties of PtSe2/GaP Heterostructure von Parmar, P.R., Khengar, S.J., Thakor, P.B.

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Structural, Electronic, and Optical Properties of SnBr2 Monolayer by Density Functional Approach von Naik, Yashasvi, Mehta, Disha, Parmar, P.R., Jariwala, P.H., Thakor, P.B.

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A GaAlS2 Janus Monolayer as a Promising Candidate for Optoelectronic Devices von Mehta, Disha, Modi, Nidhi, Khengar, S.J., Jariwala, P.H., Thakor, P.B.

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Impact of stacking on the optoelectronic properties of 2D ZrS2/GaS heterostructure von Patel, Abhishek, Singh, Deobrat, Sonvane, Yogesh, Thakor, P.B., Ahuja, Rajeev

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Optoelectronic properties of 2D van der Waals heterostructure As/PtS2 by first-principles calculations von Patel, Abhishek, Singh, Deobrat, Sonvane, Yogesh, Thakor, P.B., Ahuja, Rajeev

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