سامانه پژوهشی دانشگاه شهید مدنی آذربایجان | اميرعلي عباسي

نام و نام خانوادگی	امیرعلی عباسی
شغل	دانشجوی دانشگاه شهید مدنی آذربایجان
تحصیلات	دکترای تخصصی / شیمی (شیمی فیزیک)
مرتبه علمی	—
صفحه شخصی	—
پست الکترونیک	a_abbasi [at] azaruniv [dot] ac [dot] ir

	عنوان	مجله
1	In silico studies of the interaction of the colon cancer receptor and RNA aptamer adsorbed on (1 0 1) facet of TiO2 nanoparticle investigated by molecular dynamics simulation	ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 1 (2019) 1
2	Adsorption of CO and NO molecules on Al, P and Si embedded MoS2 nanosheets investigated by DFT calculations	ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 25 (2019) 1001-1017
3	Investigation of TiO2 anatase (1 0 1), (1 0 0) and (1 1 0) facets as immobilizer for a potential anticancer RNA aptamer: a classical molecular dynamics simulation	MOLECULAR SIMULATION 1 (2019) 1
4	Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: A computational investigation	APPLIED SURFACE SCIENCE 459 (2019) 781-791
5	A van der WAALS CORRECTED DFT STUDY OF CHEMICAL SENSING OF SULFUR DIOXIDE MOLECULE BY NITROGEN-DOPED Au DECORATED TiO 2 NANOPARTICLES	SURFACE REVIEW AND LETTERS 26 (2019) 1950003 (1-13)
6	Electronic structure tuning of stanene monolayers from DFT calculations: Effects of substitutional elemental doping	APPLIED SURFACE SCIENCE 456 (2018) 290-301
7	Structural and electronic properties of group-IV tin nanotubes and their effects on the adsorption of SO2 molecules: Insights from DFT computations	Journal of Applied Physics 124 (2018) 165302
8	Application of TiO2-supported Au for ozone molecule removal from environment: a van der Waals-corrected DFT study	International Journal of Environmental Science and Technology 1 (2018) 1-14
9	Structural and electronic properties of nitrogen-doped TiO2 nanocrystals and their effects on the adsorption of CH2O and SO2 molecules investigated by DFT	Journal of the Iranian Chemical Society 15 (2018) 1431-1448
10	Exploration of sensing of nitrogen dioxide and ozone molecules using novel TiO2/Stanene heterostructures employing DFT calculations	APPLIED SURFACE SCIENCE 441 (2018) 368-381
11	Interaction of sulfur trioxide molecules with armchair and zigzag stanene-based nanotubes: electronic properties exploration by DFT calculations	ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 1 (2018) 1-16
12	The adsorption of sulfur trioxide and ozone molecules on stanene nanosheets investigated by DFT: Applications to gas sensor devices	PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 1 (2018) 1
13	Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices	APPLIED SURFACE SCIENCE 436 (2018) 27-41
14	Theoretical study of the structural and electronic properties of novel stanene-based buckled nanotubes and their adsorption behaviors	APPLIED SURFACE SCIENCE 435 (2018) 733-742
15	An Innovative Method for the Removal of Toxic SOx Molecules from Environment by TiO2/Stanene Nanocomposites: A First-Principles Study	Journal of Inorganic and Organometallic Polymers and Materials 1 (2018) 1-13
16	TiO 2 /GRAPHENE OXIDE HETEROSTRUCTURES FOR GAS-SENSING: INTERACTION OF NITROGEN DIOXIDE WITH THE PRISTINE AND NITROGEN MODIFIED NANOSTRUCTURES INVESTIGATED BY DFT	SURFACE REVIEW AND LETTERS 1850170 (2018) 15
17	Density functional theory investigation of the interactions between the buckled stanene nanosheet and XO2 gases (X = N, S, C)	Computational and Theoretical Chemistry 1125 (2018) 15-28
18	A highly sensitive chemical gas detecting device based on N-doped ZnO as a modified nanostructure media: A DFT+NBO analysis	SURFACE SCIENCE 668 (2018) 150-163
19	A highly specific heterostructure composed of N-doped TiO2 anatase nanoparticle and double layer Au for detection of thiophene molecule: A DFT study	INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY 57A (2018) 34-43
20	Adsorption of toxic SOx molecules on heterostructured TiO2/ZnO nanocomposites for gas sensing applications: a DFT study	ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 24 (2018) 29-41
21	ADSORPTION OF THIOPHENE ON N-DOPED TiO2/MoS2NANOCOMPOSITES INVESTIGATED BY VAN DER WAALS CORRECTED DENSITY FUNCTIONAL THEORY	SURFACE REVIEW AND LETTERS 25 (2018) 1850038(12 pages)
22	Computational studies on the interaction of vitamin C (ascorbic acid) with nitrogen modified TiO2 anatase nanoparticles	JOURNAL OF NANOANALYSIS 5 (2017) 36-48
23	Molecular design of O3 and NO2 sensor devices based on a novel heterostructured N-doped TiO2/ZnO nanocomposite: a van der Waals corrected DFT study	JOURNAL OF NANOSTRUCTURE IN CHEMISTRY 7 (2017) 345-358
24	Adsorption and dissociation of SO3 on N-doped TiO2 supported Au overlayers investigated by van der Waals corrected DFT	SURFACE SCIENCE 663 (2017) 35-46
25	Structural and electronic properties of CO molecule adsorbed on the TiO2 supported Au overlayers: Insights from density functional theory computations	International Journal of Nano Dimension 8 (2017) 329-340
26	Density functional theory (DFT) study of O3 molecules adsorbed on nitrogen-doped TiO2/MoS2 nanocomposites: applications to gas sensor devices	Journal of the Iranian Chemical Society 0 (2017) 1-12
27	An innovative gas sensor system designed from a sensitive nanostructured ZnO for the selective detection of SOx molecules: a density functional theory study	NEW JOURNAL OF CHEMISTRY 0 (2017) 1-12
28	Adsorption and dissociation of H2S on nitrogen-doped TiO2 anatase nanoparticles: Insights from DFT computations	Surfaces and Interfaces 8 (2017) 15-27
29	A novel strategy for SO x removal by N-doped TiO 2 /WSe 2 nanocomposite as a highly efficient molecule sensor investigated by van der Waals corrected DFT	Computational and Theoretical Chemistry 1114 (2017) 8-19
30	Highly Sensitive Detection of H2S Molecules Using a TiO2-Supported Au Overlayer Based Nanosensors: A Van Der Waals Corrected DFT Study	JOURNAL OF NANOANALYSIS 4 (2017) 169-180
31	The diode characteristics and rectification effect of three nanodevice containing graphene and oxidized graphene nanoribbons: A density functional theory + non-equilibrium Green’s function study	Computational Materials Science 137 (2017) 125-133
32	A novel nitrogen dioxide gas sensor based on TiO2-supported Au nanoparticles: A van der Waals corrected DFT study	JOURNAL OF NANOSTRUCTURE IN CHEMISTRY 1 (2017) 1-12
33	Adsorption Behaviors of Curcumin on N-doped TiO 2 Anatase Nanoparticles: Density Functional Theory Calculations	JOURNAL OF NANOANALYSIS 4 (2017) 85-98
34	Van der Waals corrected DFT study on the adsorption behaviors of TiO 2 anatase nanoparticles as potential molecule sensor for thiophene detection	Journal of Water and Environmental Nanotechnology 2 (2017) 52-65
35	Theoretical investigation of the adsorption behaviors of CO and CO2 molecules on the nitrogen-doped TiO2 anatase nanoparticles: Insights from DFT computations	JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY 16 (2017) 1750003 (1-19)
36	Adsorption of H 2 S molecule on TiO 2 /Au nanocomposites: A density functional theory study	Nanochemistry Research 2 (2017) 1-7
37	Prediction of a highly sensitive molecule sensor for SOx detection based on TiO2/MoS2 nanocomposites: A DFT study	Journal of sulphur chemistry 1 (2017) 0
38	A theoretical study on the adsorption behaviors of Ammonia molecule on N-doped TiO2 anatase nanoparticles: Applications to gas sensor devices	International Journal of Nano Dimension 7 (2016) 349-359
39	Chemisorption of CH2O on N-doped TiO2anatase nanoparticle as modified nanostructure media: A DFT study	SURFACE SCIENCE 654 (2016) 20-32
40	Modified N-doped TiO2 anatase nanoparticle as an ideal O3 gas sensor: insights from density functional theory calculations	Computational and Theoretical Chemistry 1095 (2016) 15-28
41	The interaction of acrolein with pristine and N-doped TiO2 anatase nanoparticles: A DFT study	ACTA CHIMICA SLOVENICA 63 (2016) 1-8
42	Theoretical study of the adsorption of NOx on TiO2/MoS2 nanocomposites: a comparison between undoped and N-doped nanocomposites	JOURNAL OF NANOSTRUCTURE IN CHEMISTRY 6 (2016) 309-327
43	Molecular adsorption study of nicotine on the nitrogen doped TiO2 anatase nanoparticles: Insights from van der Waals corrected DFT computations	Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry 55A (2016) 1182-1191
44	N-doped TiO2 anatase nanoparticle as a highly sensitive gas sensor for NO2 detection: Insights from DFT computations	Environmental Science-Nano 3 (2016) 1153-1164
45	TiO 2 /Gold nanocomposite as an extremely sensitive molecule sensor for NO 2 detection: A DFT study	Journal of Water and Environmental Nanotechnology 1 (2016) 55-62
46	The adsorption of sulfur dioxide on TiO2 anatase nanoparticles: A density functional theory study	CANADIAN JOURNAL OF CHEMISTRY 94 (2016) 78-87
47	Improving the adsorption of sulfur trioxide on TiO2anatase nanoparticles by N-doping: A DFT study	JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY 14 (2015) 1550025 (1-25)
48	Density functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles	International Journal of Nano Dimension 6 (2015) 11-17
49	Theoretical computation of the quantum transport of zigzag mono-layer Graphenes with various z-direction widths	International Journal of Nano Dimension 6 (2015) 105-109

امیرعلی عباسی