سامانه پژوهشی دانشگاه خلیج فارس | Timon Rabczuk

	عنوان	مجله
1	Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning	BATTERIES-BASEL 8 (2022) 194
2	A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayers	Nanoscale 14 (2022) 4324
3	Outstandingly high thermal conductivity, elastic modulus, carrier mobility and piezoelectricity in two-dimensional semiconducting CrC2N4: a first-principles study	Materials Today Energy 22 (2021) 100839
4	High tensile strength and thermal conductivity in BeO monolayer: A first-principles study	FLATCHEM 28 (2021) 100257
5	Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles	Nano Energy 82 (2021) 105716-...
6	Nanoporous C3N4, C3N5 and C3N6 nanosheets; novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties	CARBON 167 (2020) 40-50
7	First-principles investigation of mechanical, electronic and optical properties of H-, F- and Cl-diamane	APPLIED SURFACE SCIENCE 528 (2020) 147035-...
8	As 2 S 3, As 2 Se 3 and As 2 Te 3 nanosheets: superstretchable semiconductors with anisotropic carrier mobilities and optical properties	Journal of Materials Chemistry C (2020) 2400،2410