Asymmetric XMoSiN2 (X=S, Se, Te) monolayers as novel promising 2D materials for nanoelectronics and photovoltaics von Sibatov, R.T., Meftakhutdinov, R.M., Kochaev, A.I.

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Graphenylene nanoribbons: electronic, optical and thermoelectric properties from first-principles calculations von Meftakhutdinov, R M, Sibatov, R T, Kochaev, A I

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AA-Stacked Borophene-Graphene Bilayer with Covalent Bonding: Ab Initio Investigation of Structural, Electronic and Elastic properties von Kochaev, A, Katin, K, Maslov, M, Meftakhutdinov, R

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Optical and thermoelectric properties of graphenylene and octagraphene nanotubes from first-principles calculations von Kochaev, A.I., Meftakhutdinov, R.M., Sibatov, R.T., Timkaeva, D.A.

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BN Diamane-like Quasicrystal Based on 30° Twisted H-BN Bilayers and Its Approximants: Features of the Atomic Structure and Electronic Properties von Chernozatonskii, Leonid A., Kochaev, Aleksey I.

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Bilayer C60 Polymer/h-BN Heterostructures: A DFT Study of Electronic and Optic Properties von Chernozatonskii, Leonid A, Kochaev, Aleksey I

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Graphenylene/Janus transition metal dichalcogenides XMoY (X ≠ Y = S, Te, Se) as novel van der Waals heterostructures for optoelectronic applications von Meftakhutdinov, R.M., Kochaev, A.I., Sibatov, R.T.

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Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type von Kochaev, Aleksey I.

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On piezoelectricity in Moiré nitridanes von Kochaev, Aleksey, Maslov, Mikhail, Katin, Konstantin, Chernozatonskii, Leonid

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First-principles study of graphenylene/MoX2 (X = S, Te, and Se) van der Waals heterostructures von Meftakhutdinov, R M, Sibatov, R T, Kochaev, A I, Evseev, D A

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Enhanced properties of covalently coupled borophene-graphene layers through fluorination and hydrogenation von Kochaev, A., Meftakhutdinov, R., Sibatov, R., Katin, K., Maslov, M., Efimov, V.

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Asymmetric XMoSiN 2 (X=S, Se, Te) monolayers as novel promising 2D materials for nanoelectronics and photovoltaics von Sibatov, R.T., Meftakhutdinov, R.M., Kochaev, A.I.

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Anisotropic Carrier Mobility and Spectral Fingerprints of Two-Dimensional γ-Phosphorus Carbide with Antisite Defects von Katin, Konstantin P., Maslov, Mikhail M., Nikitenko, Vladimir R., Kochaev, Alexey I., Kaya, Savas, Prezhdo, Oleg V.

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Low-strained carbon monolayers with pentagonal cycles for lithium storage: Precursor analysis, self-assembly simulation and properties prediction von Katin, Konstantin P., Kochaev, Alexei I., Kaya, Savas, Orlov, Konstantin I., Berezniczcky, Igor V., Maslov, Mikhail M.

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Anisotropic Carrier Mobility and Spectral Fingerprints of Two-Dimensional γ‑Phosphorus Carbide with Antisite Defects von Katin, Konstantin P., Maslov, Mikhail M., Nikitenko, Vladimir R., Kochaev, Alexey I., Kaya, Savas, Prezhdo, Oleg V.

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Investigating electrocatalytic properties of β12-borophene as a cathode material for an efficient lithium-oxygen battery: a first-principles study von Fwalo, C., Kochaev, A., Mapasha, R. E.

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Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption von Kalika, Elizaveta B., Katin, Konstantin P., Kochaev, Alexey I., Kaya, Savas, Elik, Mustafa, Maslov, Mikhail M.

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Bilayer C[sub.60] Polymer/h-BN Heterostructures: A DFT Study of Electronic and Optic Properties von Chernozatonskii, Leonid A, Kochaev, Aleksey I

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Probing of Neural Networks as a Bridge from Ab Initio Relevant Characteristics to Differential Scanning Calorimetry Measurements of High‐Energy Compounds von Bondarev, Nikolay V., Katin, Konstantin P., Merinov, Valeriy B., Kochaev, Alexey I., Kaya, Savas, Maslov, Mikhail M.

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Interaction of pristine and novel graphene allotropes with copper nanoparticles: Coupled density functional and molecular dynamics study von Katin, Konstantin P., Kochaev, Alexey I., Bereznitskiy, Igor V., Kalika, Elizaveta B., Kaya, Savas, Flores-Moreno, Roberto, Maslov, Mikhail M.

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