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Address: Iran University of Science and Technology

,Narmak,Tehran 16846_13114,Iran

Tel: +98(21) 77240516-7

Fax: +98(21) 77491204

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chemistry AT iust.ac.ir

:: Dr.mousavi ::

Dr. Seyed morteza Mosavi-khoshdel
Assistant Professor of  Physical Chemistry
Email: mmousavi AT iust.ac.ir

Postal Address: Department of Chemistry ,Iran University of Science and Technology, Narmak, Tehran, Iran    1674613114
Google scholar;    RG (Researchgate);     ORCID 

Ph.D: Physical Chemistry, Tarbiat Modares University (TMU), Tehran, Iran
M.S.: Physical Chemistry, Tarbiat Modares University (TMU), Tehran, Iran
B.S.: Applied Chemistry,
University of Mazandaran, Babolsar, Iran

Research Interests:
Computational Chemistry;   Electrochemistry;   Nanochemistry;   Molecular Simulation

Research Areas:
     A: Design and Construction of Supercapacitor
     B: Material Design for Ion-lithium and Ion sodium Batteries
     C: Construction of Lead Acid Redox Flow Batteries
     D: Study of Metal Corrosion and Inhibitors
     E: Computational Study of Surface Activity of Nanomaterials

Teaching of the Following Courses:
1-    Computational Chemistry (Computational quantum chemistry)
2-    Computational Chemistry (Molecular simulation methods)
3-    Advanced Electrochemistry
4-    Quantum Chemistry I
5-    Quantum Chemistry II
6-    Quantum Chemistry III
7-    Statistical Thermodynamics I
8-    Molecular Spectroscopy I
9-    Advanced Chemical Kinetics
10-  Advanced Physical Chemistry
11- New Topics in Physical Chemistry
12- Special Topics in Physical Chemistry

Journal Publications:

28) E. Vessally, R. Moladoust, S. M. Mousavi-Khoshdel, M. D. Esrafili, A. Hosseinian, L. Edjlali: Chloropicrin sensor based on the pristine BN nanocones: DFT studies. Structural Chemistry 11/2017;, DOI:10.1007/s11224-017-1055-3
27) E. Vessally, R. Moladust, S.M. Mousavi-Khoshdel, M.D. Esrafili, A. Hosseinian, L. Edjlali: The ClCN adsorption on the pristine and Al-doped boron nitride nanosheet, nanocage, and nanocone: Density functional studies. Thin Solid Films 11/2017; 645., DOI:10.1016/j.tsf.2017.11.002
26) Mohammad Jafar Momeni, Chandra Chowdhury, Morteza Mousavi-Khoshdel: Density functional theory study of defective silicenes as anode materials for lithium ion batteries. Journal of Molecular Graphics and Modelling 10/2017; 78., DOI:10.1016/j.jmgm.2017.10.016
25) Ehsan Targholi, S. Morteza Mousavi-Khoshdel, Mohmmadsafi Rahmanifara, M.Z.A. Yahya: Cu- and Fe-Hexacyanoferrate as Cathode Materials for Potassium Ion battery: A First-Principles Study. Chemical Physics Letters 09/2017; 687., DOI:10.1016/j.cplett.2017.09.029
24) Masumeh Molaei, S. Morteza Mousavi-Khoshdel: Tetracyanobenzene-Al-graphene efficiency as an organic electrode material for Na-ion batteries: A theoretical approach. Computational Materials Science 08/2017; 139., DOI:10.1016/j.commatsci.2017.08.023
23) S M Mousavi-Khoshdel, M Safi Rahmanifar, E Targholi: Evaluating the performance of graphene with structural defect and functionalized by –C6H4 as an electrode active material for supercapacitors. Iranian Journal of Physics Research 02/2017; 16(4):273-281., DOI:10.18869/acadpub.ijpr.16.4.273
22) Mohammad Jafar Momeni, Morteza Mousavi-Khoshdel, Ehsan Targholi: First-Principles Investigation of Adsorption and Diffusion of Li on Doped Silicenes: Prospective Materials for Lithium-ion Batteries. DOI:10.1016/j.matchemphys.2017.01.082
21) Masoumeh Molaei, S. Morteza Mousavi-Khoshdel, Ehsan Targholi: First-principles investigation of the complex of 2, 5-furandicarbonitrile-Al-doped graphene as a possible electrode material for Na-ion batteries. Current Applied Physics 12/2016; 17(2)., DOI:10.1016/j.cap.2016.12.005
20) Mohammad Jafar Momeni, Ehsan Targholi, Morteza Mousavi-Khoshdel: Maleic anhydride as a promising anode material for Na-Ion and Li-Ion batteries with using a proper substrate: A first principles study. Computational Materials Science 11/2016; 124:166-172., DOI:10.1016/j.commatsci.2016.07.034
19) Ehsan Targholi, Masoumeh Molaei, S. Morteza Mousavi-Khoshdel: (10, 10) Single Walled Carbon Nanotube Consisted of Chemisorbed Oxygen Atoms as a Promising Supercapacitor Electrode Material: A First Principles Study. Chemical Physics Letters 10/2016; 664., DOI:10.1016/j.cplett.2016.10.018
18) S. Morteza Mousavi-Khoshdel, Parisa Jahanbakhsh-bonab, Ehsan Targholi: Structural, electronic properties, and quantum capacitance of B, N and P-doped armchair carbon nanotubes. Physics Letters A 08/2016; 380(41)., DOI:10.1016/j.physleta.2016.07.067
17) S M Mousavi-Khoshdel, M Molaei, M Ghiasi: Computational Study on Reduction Potential of [CoP 4 N 2 (OH 2 ) 2 ] 2+ as a Super- Efficient Catalyst in Electrochemical Hydrogen Evolution. Physical Chemistry Research 06/2016; 4(4):531-538., DOI:10.22036/pcr.2016.15431
16) S. Morteza Mousavi-Khoshdel, Ehsan targholi, Mohammad Jafar Momeni: A First Principle Calculation of Quantum Capacitance of Co-Doped Graphenes as Supercapacitor Electrodes. The Journal of Physical Chemistry C 11/2015; 119(47)., DOI:10.1021/acs.jpcc.5b07943
15) Mehdi D. Esrafili, Ramin Mohammad-Valipour, Seyed Morteza Mousavi-Khoshdel, Parisa Nematollahi: A Comparative Study of CO Oxidation on Nitrogen and PhosphorusDoped Graphene. ChemPhysChem 09/2015; 16(17)., DOI:10.1002/cphc.201500488
14) Zahra Khodadadi, S. Morteza Mousavi-Khoshdel, Hussein Gharibi: Monte Carlo Simulation and Theoretical Approach to Mixed Surfactant System consisting Gemini and Conventional Surfactants in Aqueous Solutions. Fluid Phase Equilibria 07/2015; 406., DOI:10.1016/j.fluid.2015.07.051
13) Hadi Behzadi, Payman Roonasi, Mohammad Jafar Momeni, Sergio Manzetti, Mehdi D. Esrafili, I.B. Obot, Mostafa Yousefvand, S. Morteza Mousavi-Khoshdel: A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process. Journal of Molecular Structure 04/2015; 1086., DOI:10.1016/j.molstruc.2015.01.008
12) S. Morteza Mousavi-Khoshdel, Ehsan Targholi: Exploring the Effect of Functionalization of Graphene on the Quantum Capacitance by First Principle Study. Carbon 03/2015; 89., DOI:10.1016/j.carbon.2015.03.013
11) Hussein Gharibi, Zahra Khodadadi, S. Morteza Mousavi-Khoshdel, S. Majid Hashemianzadeh, Soheila Javadian: Mixed Micellization of Gemini and Conventional Surfactant in Aqueous Solution, a Lattice Monte Carlo Simulation. Journal of Molecular Graphics and Modelling 09/2014; 53., DOI:10.1016/j.jmgm.2014.07.014
10) Mohammad Jafar Momeni, Hadi Behzadi, Peyman Roonasi, S. Abolfazl Seyed Sadjadi, S. Morteza Mousavi-Khoshdel, S. Vahid Mousavi: Ab initio study of two quinoline derivatives as corrosion inhibitor in acidic media: electronic structure, inhibitor–metal interaction, and nuclear quadrupole resonance parameters. Research on Chemical Intermediates 08/2014; 41(9)., DOI:10.1007/s11164-014-1777-4
9)  Zahra Khodadadi, S Morteza Mousavi-Khoshdel, Hussein Gharibi, Seyed Majid Hashemianzadeh, Sohaila Javadian: Monte Carlo simulation of binary surfactant/contaminant/water systems. Journal of molecular graphics & modelling 03/2012; 36:20-9., DOI:10.1016/j.jmgm.2012.03.003
8)  Leila karami, Hadi Behzadi, Nasser L. Hadipour, Morteza Mousavi-khoshdel: Study of C OH N Hydrogen bond interactions in amyloid beta (A β): A DFT study of the electric field gradient and CS tensors and NBO analysis. Computational and Theoretical Chemistry 04/2011; 965(1):137-145., DOI:10.1016/j.comptc.2011.01.038
7)  Niaz Poorgholami-Bejarpasi, Majid Hashemianzadeh, S Morteza Mousavi-Khoshdel, Beheshteh Sohrabi: Role of Interaction Energies in the Behavior of Mixed Surfactant Systems: A Lattice Monte Carlo Simulation. Langmuir 09/2010; 26(17):13786-96., DOI:10.1021/la100330c
6)  Niaz Poorgholami-Bejarpasi, Majid Hashemianzadeh, S Morteza Mousavi-Khoshdel, Beheshteh Sohrabi: Investigation of the mixing behavior of surfactants by lattice Monte Carlo simulation. Journal of Molecular Modeling 02/2010; 16(9):1499-508., DOI:10.1007/s00894-010-0657-0
5)  S.M. Hashemianzadeh, H. Gharibi, S.M. Mousavi-Khoshdel, B. Sohrabi, M. A. Safarpoor: Lattice Monte Carlo simulation of dilute ionic surfactants. Journal of Molecular Liquids 02/2008; 138(1):147-154., DOI:10.1016/j.molliq.2007.07.007
4)  Hussein Gharibi, Reza Behjatmanesh-Ardakani, Majid Hashemianzadeh, Morteza Mousavi-Khoshdel: Complexation between a Macromolecule and an Amphiphile by Monte Carlo Technique. The Journal of Physical Chemistry B 08/2006; 110(27):13547-53., DOI:10.1021/jp061622v
3)  H. Gharibi, R. Behjatmanesh-Ardakani, S. M. Hashemianzadeh, S. M. Mousavi-Khoshdel, S. Javadian, B. Sohrabi: Study of thermodynamic parameters in amphiphilic systems by lattice Monte Carlo: Effect of tails and heads. Theoretical Chemistry Accounts 01/2006; 115(1):1-17., DOI:10.1007/s00214-005-0014-z
2)  B M Razavizadeh, M Mousavi-Khoshdel, H Gharibi, R Behjatmanesh-Ardakani, S Javadian, B Sohrabi: Thermodynamic studies of mixed ionic/nonionic surfactant systems. Journal of Colloid and Interface Science 09/2004; 276(1):197-207., DOI:10.1016/j.jcis.2004.03.036
1)  Nasser L. Hadipour, Marjan A. Rafiee, Masoumeh Javaheri, Morteza K. Mousavie: Ab-initio calculations of NQR35Cl frequency in organo-germanium chlorides and its dependency on Ge-O Distance. Chemical Physics Letters 04/2002; 356(5):445-450., DOI:10.1016/S0009-2614(02)00339-1

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