Constantinos Zeinalipour  
 
 

Google Scholar Citations: 498;  h-index=12,  g-index=21;  papers/author = 12.45 last updated 28/01/2018

A. Peer Reviewed Journal Publications

  1. Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Laissiri, S; Bion, N.; Catlow, C. R. A.; Effect of Li promoters on the nitrogen vacancy formation energy of η-Mn3N2 (−100) surfaces, Phys. Chem. Chem. Phys, 2017, in preparation.
  2. Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Catlow, C. R. A.; Low-T Mechanism of Ammonia Synthesis on Co3Mo3N, J. Phys. Chem. C 2018,just accepted manuscript
  3. Zeinalipour-Yazdi, C. D.; Catlow, C. R. A., A computational study of the heterogeneous synthesis of hydrazine on Co3Mo3N, Catalysis Letter, 2017, 147, 1820-1826.
  4. Laassiri, S.; Zeinalipour-Yazdi, C. D.; Catlow, C. R. A.; Hargreaves, J. S. J. The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping. Applied Catalysis B: Environmental, 2017, accepted DOI:10.1016/j.apcatb.2017.04.073
  5. Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Laissiri, S; Catlow, C. R. A., DFT-D3 study of molecular N2 and H2 activation on Ta3N5 (100), (010) and (001) surfaces. Phys. Chem. Chem. Phys, 2017, 19, 11968-11974.
  6. Zeinalipour-Yazdi, C. D.; Loizidou, E. Z., Study of the cap structure of (3,3), (4,4) and (5,5)-SWCNTs: Application of the sphere-in-contact model, Carbon, 2017, 115, 819-827.
  7. Zeinalipour-Yazdi, C. D., DFT study of the coverage-dependent chemisorption of molecular H2 on neutralcobalt dimers, Surface Science, 2016, 656, 54-59.
  8. Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Catlow, C. R. A., DFT-D3 study of molecular N2 and H2 activation on Co3Mo3N surfaces. The Journal of Physical Chemistry C, 2016, 120, 21390–21398.
  9. Laassiri, S., Zeinalipour-Yazdi, C.D., Catlow, C.R.A., Hargreaves, J.S.J., Nitrogen transfer properties in tantalum nitride based materials, Catalysis Today, 2016, 286, 147-154.
  10. Zeinalipour-Yazdi, C.D.; Pullman, D.P.; Catlow, C.R.A., The sphere-in-contact model for carbon materials. Journal of Molecular Modelling, 2016, 22, 40.
  11. Zeinalipour-Yazdi, C. D.; Willock, D. J.; Thomas, L.; Wilson, K.; Lee, A. F., CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles. Surface Science, 2016, 646, 210-220.
  12. Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Catlow, C. R. A., Nitrogen Activation in a Mars–van Krevelen Mechanism for Ammonia Synthesis on Co3Mo3N. The Journal of Physical Chemistry C, 2015, 119, 28368-28376.
  13. Zeinalipour-Yazdi, C. D.; Willock, D. J.; Machado, A.; Wilson, K.; Lee, A. F., Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study. Physical Chemistry Chemical Physics 2014, 16, 11236-11244.
  14. Loizidou, E. Z.; Zeinalipour-Yazdi, C. D., Computational Inhibition Studies of the Human Proteasome by Argyrin-Based Analogues with Subunit Specificity. Chemical Biology & Drug Design 2014, 84, 99-107.
  15. Zeinalipour-Yazdi, C. D.; van Santen, R. A., Coverage-Dependent Adsorption Energy of Carbon Monoxide on a Rhodium Nanocluster. Journal of Physical Chemistry C 2012, 116, 8721-8730.
  16. Loizidou, E. Z.; Sun, L.; Zeinalipour-Yazdi, C., Receptor-attached amphiphilic terpolymer for selective drug recognition in aqueous solutions. Journal of molecular recognition : JMR 2011, 24, 678-86.
  17. Zeinalipour-Yazdi, C. D.; van Santen, R. A., Kinetic Rates and Linear Free Energy Relationships for Water Dissociation on Transition and Noble Metal Dimers. Journal of Physical Chemistry A 2009, 113, 6971-6978.
  18. Zeinalipour-Yazdi, C. D.; Pullman, D. P., Quantitative Structure-Property Relationships for Longitudinal, Transverse, and Molecular Static Polarizabilities in Polyynes (vol 112, pg 7377, 2008). Journal of Physical Chemistry B 2009, 113, 9628-9628.
  19. Zeinalipour-Yazdi, C. D.; Christofides, C., Linear correlation between binding energy and Young’s modulus in graphene nanoribbons. Journal of Applied Physics 2009, 106, 054318-054323.
  20. Loizidou, E. Z.; Zeinalipour-Yazdi, C. D.; Christofides, T.; Kostrikis, L. G., Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance. Bioorganic & Medicinal Chemistry 2009, 17, 4806-4818.
  21. Loizidou, E. Z.; Kousiappa, I.; Zeinalipour-Yazdi, C. D.; Van de Vijver, D. A. M. C.; Kostrikis, L. G., Implications of HIV-1 M Group Polymorphisms on Integrase Inhibitor Efficacy and Resistance: Genetic and Structural in Silico Analyses. Biochemistry 2009, 48, 4-6.
  22. Zeinalipour-Yazdi, C. D.; Pullman, D. P., Quantitative structure - Property relationships for longitudinal, transverse, and molecular static polarizabilities in polyynes. Journal of Physical Chemistry B 2008, 112, 7377-7386.
  23. Zeinalipour-Yazdi, C. D.; Pullman, D. P., A new interpretation of the scanning tunneling microscope image of graphite. Chemical Physics 2008, 348, 233-236.
  24. Zeinalipour-Yazdi, C. D.; Efstathiou, A. M., Preadsorbed Water-Promoted Mechanism of the Water-Gas Shift Reaction. Journal of Physical Chemistry C 2008, 112, 19030-19039.
  25. Zeinalipour-Yazdi, C. D.; Cooksy, A. L.; Efstathiou, A. M., CO adsorption on transition metal clusters: Trends from density functional theory. Surface Science 2008, 602, 1858-1862.
  26. Loizidou, E. Z.; Kousiappa, I.; Zeinalipour-Yazdi, C. D.; Van de Vijver, D. A. M. C.; Kostrikis, L. G., Implications of HIV-1 M Group Polymorphisms on Integrase Inhibitor Efficacy and Resistance: Genetic and Structural in Silico Analyses†. Biochemistry 2008, 48, 4-6.
  27. Grotjahn, D. B.; Kragulj, E. J.; Zeinalipour-Yazdi, C. D.; Miranda-Soto, V.; Lev, D. A.; Cooksy, A. L., Finding the proton in a key intermediate of anti-Markovnikov alkyne hydration by a bifunctional catalyst. Journal of the American Chemical Society 2008, 130, 10860-10861.
  28. Zeinalipour-Yazdi, C. D.; Cooksy, A. L.; Efstathiou, A. M., A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/gamma-Al2O3. Journal of Physical Chemistry C 2007, 111, 13872-13878.
  29. Olympiou, G. G.; Kalamaras, C. M.; Zeinalipour-Yazdi, C. D.; Efstathiou, A. M., Mechanistic aspects of the water-gas shift reaction on alumina-supported noble metal catalysts: In situ DRIFTS and SSITKA-mass spectrometry studies. Catalysis Today 2007, 127, 304-318.
  30. Zeinalipour-Yazdi, C. D.; Pullman, D. P., Correlation of polarizabilities with Van Der Waals interactions in pi-systems. Journal of Physical Chemistry B 2006, 110, 24260-24265.
  31. Loizidou, E.; Zeinalipour-Yazdi, C.; Sun, L. F., Artificial receptor-attached amphiphilic copolymer for barbiturate binding in aqueous media. Biomacromolecules 2004, 5, 1647-1652.

B.  Thesis and Chapters in Books

  1. CD Zeinalipour-Yazdi, “Computational study of reaction mechanisms on nanocatalysts to allow precise control of catalytic activity and selectivity” Molecular Science Computing: 2010 Greenbook, 6-page white paper contribution, EMSL, USA, 2010
  2. CD Zeinalipour-Yazdi, “Structure and Symmetry of Graphite” Essentials in Nanotechnology Booklet series, CRC Press/Taylor & Francis Group, Boca Raton, FL, USA, 1-13, 2008
  3. CD Zeinalipour-Yazdi, “Electronic structure and interlayer binding energy of graphite”, University of California, San Diego and San Diego State University, San Diego, Digital Dissertations, 1-211, 2006 (PhD Thesis)
C. Conference Proceedings (only major)
  1. C.D. Zeinalipour-Yazdi, J.S.J. Hargreaves, C.R.A. Catlow, Study of the Mars – van Krevelen Mechanism for Ammonia Synthesis on Co3Mo3N (111)-surfaces, 251 National American Chemical Society meeting, San Diego, March 13-17, 2016
  2. J.S. Hargreaves, A. McFarlane, C.A. Catlow, C.D. Zeinalipour-Yazdi, W.R. Flavell, M. Leontiadou, H. Radtke, Lattice nitrogen reactivity in Co3Mo3N catalysts – understanding the role of surface structure and composition through application of depth resolved XPS and computational modelling, 251 National American Chemical Society meeting, San Diego, Mar. 13-17, 2016
  3. C.D. Zeinalipour-Yazdi, J.S.J. Hargreaves, C.R.A. Catlow, Ammonia Synthesis via Mars - Van Krevelen Mechanism: Adsorption and Activation of N2 on Co3Mo3N, UK Catalysis Conference 2016, Loughborough, Jan 6-8, 2016
  4. S. Laassiri, C.D. Zeinalipour-Yazdi, C.R.A. Catlow, J.S.J. Hargreaves, Reactivity of lattice nitrogen in tantalum nitride materials, UK Catalysis Conference 2016, Loughborough, Jan 6-8, 2016
  5. S. Laassiri, C.D. ‎D. Zeinalipour-Yazdi, C.R.A. Catlow, J.S.J. Hargreaves, Ammonia Synthesis: Development of Novel Heterogeneous Catalysts Operating Via Mars-Van Krevelen Type Mechanisms, AIChE Annual Meeting, Salt Lake City, USA, November 8-13, 2015
  6. C.D. Zeinalipour-Yazdi and C.R.A. Catlow, Enhancement of thin film magnetic properties by nitrogen-removal from Co3Mo3N and Fe3Mo3N (111)-terminated surfaces, 12th Materials Chemistry Conference, York, UK 2015
  7. A.F. Lee, Christopher M.A. Parlett, K. Wilson, C.D. Zeinalipour-Yazdi, D.J. Willock. CATL 111: Rational design of heterogeneous catalysts for the selective aerobic oxidation of alcohols, 248 National American Chemical Society Meeting, San Francisco, 2014
  8. C.D. Zeinalipour-Yazdi, D.J. Willock, K. Wilson, A. Machado, Mechanistic studies of the selective oxidation of crotyl alcohol to crotonaldehyde on bare and oxidised gold nanoparticles, 247 National American Chemical Society Meeting, 16-20 Mar 2014, Dallas, TX, USA 2014 Abstracts of Papers of the American Chemical Society, 229, U676-U676, 2005
  9. Eriketi Z. Loizidou, C.D. Zeinalipour-Yazdi, Design of argyrin analogues as proteasome inhibitors with subunit specificity. 247th American Chemical Society Meeting, 16-20 Mar 2014, Dallas, TX, USA 2014
  10. C.D. Zeinalipour-Yazdi, D.J. Willock, K. Wilson, A. Machado, L.M. Thomas, S.W. Hoh and A.F. Lee, “Oxygen-promoted crotyl alcohol selective oxidation over Au nanoparticles: a computational study” International Materials Chemistry Conference (MC11), University of Warwick, UK, July 8-11, 2013
  11. C.D. Zeinalipour-Yazdi, “A theoretical model for the coverage-dependent adsorption energy of CO on rhodium nanoclusters as a function of coverage” 11th Chemistry Conference between Cyprus and Greece, Limassol, Cyprus, Oct 26-30, 2011
  12. C.D. Zeinalipour -Yazdi, A.M.  Efstathiou, “New Insights of the Water-Gas Shift Reaction Mechanism on a Rh Cluster”, European Congress on Catalysis –IX (EUROPACAT-IX), Salamanca, Spain, 30 Aug. - 4 Sept., 2009
  13. C.D. Zeinalipour-Yazdi, C.M. Kalamaras, A.M.  Efstathiou, “Infrared and ab initio study of carbon monoxide chemisorption on rhodium clusters”, 9th Greece-Cyprus Chemistry Conference, Larnaca, Cyprus, April 27-30, 2007
  14. C.M. Kalamaras, G.G. Olympiou, C.D. Zeinalipour-Yazdi, A.M. Efstathiou, “Operando DRIFTS-Mass Spectroscopy Studies of the Water-Gas Shift Reaction over Alumina-supported Noble Metal Catalysts”, European Congress on Catalysis (EUROPACAT-VIII), Turku, Finland, August 26-31, 2007
  15. C.D. Zeinalipour-Yazdi, D.P. Pullman, “Correlation of polarizabilities with Van der Waals interactions in π-systems”, The 40th West. Reg. Am. Chem. Soc. Meeting: 303-COMP, Anaheim, CA, January 22-25, 2006
  16. Zeinalipour-Yazdi, C.; Pullman, D. P.; Peterson, K. I., Origin of contrast in STM images of Graphite. Abstracts of Papers of the American Chemical Society 2005, 229, U702-U702.
  17. Zeinalipour-Yazdi, C.; Loizidou, E.; Pullman, D. P., Second-order perturbational study of the transformation of hexagonal to rhombohedral graphite. Abstracts of Papers of the American Chemical Society, 229, U676-U676, 2005
  18. Zeinalipour-Yazdi, C.; Gonzalez, J.; Peterson, K. I.; Pullman, D.P., On the interpretation of graphite images obtained by STM. Abstracts of Papers of the American Chemical Society, 226, U377-U377, 2003

D. Technical Reports

  1. Business Plan Competition, Cyprus Entrepreneurship Competition 2012, C.D. Zeinalipour-Yazdi and Eriketi Z. Loizidou, “A portable solar-UV disinfection apparatus for aqueous fluids”, CySilicoTech Research Ltd, p. 1-73, 2012
  2. Technical Research Report, C.D. Zeinalipour-Yazdi, “Multiscale simulations for the development of a reverse combustion catalyst for power plants”, CySilicoTech Research Ltd, p. 1-31, 2012
  3. Technical Research Report, C.D. Zeinalipour-Yazdi, “Computational study of graphene-based materials for ultracapacitors and photovoltaics”, CySilicoTech Research Ltd, p. 1-43, 2012
  4. Technical Research Report, C.D. Zeinalipour-Yazdi, “A prototype for water filtration and disinfection using solar-UV”, CySilicoTech Research Ltd, p. 1-20, 2012
  5. Technical Research Report, C.D. Zeinalipour-Yazdi, “Innovative Green coatings for aluminium façade building materials”, CySilicoTech Research Ltd, p. 1-45, 2012
  6. Technical Research Report, C.D. Zeinalipour-Yazdi, “A portable solar-energy water disinfection device”, Center of Idea Registration, Netherlands, CySilicoTech Research Ltd, p. 1-5, 2012
  7. Technical Research Report, C.D. Zeinalipour-Yazdi, “Electronic and Spectroscopic properties of graphene-based materials for photovoltaic applications” CySilicoTech Research Ltd, p. 1-16, 2010.
  8. Final Project Report, C.D. Zeinalipour-Yazdi, Angelos M. Efstathiou,  “Theoretical and Experimental investigation of the Water-Gas Shift reaction” ΠΕΝΕΚ ΕΝΙΣΧ/0506/62, p. 61-100, 2009
  9. Mid-term Project Report, C.D. Zeinalipour-Yazdi, Angelos M. Efstathiou,  “Theoretical and Experimental investigation of the Water-Gas Shift reaction” ΠΕΝΕΚ ΕΝΙΣΧ/0506/62, p. 1-60, 2008
  10. Technical Research Report, Report 4.1, Maria Vittoria Prati, Maria Antonietta Costagliola, Mario Bonfantini, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on calibrated instruments/sensors platform operation” EU community initiative programme Interreg III B Archimed, p.1-30, 2008
  11. Technical Research Report, Report 5.1, Maria Vittoria Prati, Fabio Murena, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on the operation of the mobile laboratory for the monitoring of the air pollution in Naples” EU community initiative programme Interreg III B Archimed, p.1-28, 2008
  12. Technical Research Report, Report 5.2, Maria Vittoria Prati, Maria Antonietta Costagliola, Mario Bonfantini, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on the operation of the mobile laboratory for the monitoring of the novel emission control system” EU community initiative programme Interreg III B Archimed, p.1-19, 2008
  13. Technical Research Report, Report 6.1, Maria Vittoria Prati, Maria Antonietta Costagliola, Mario Bonfantini, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on the analyzed air pollution data acquired from the city of Naples” EU community initiative programme Interreg III B Archimed, p.1-35, 2008
  14. Technical Research Report, C.D. Zeinalipour-Yazdi, “Manual on commercial devices (stationary and mobile) for the measurement of atmospheric pollution”, Heterogeneous Catalysis Laboratory, University of Cyprus, p. 1-30, 2006

E. Patents

C.D. Zeinalipour-Yazdi, A portable solar-UV disinfection apparatus for aqueous fluids, US 61/671,505, 2012 (did not pursue)


 
 
 
 

 

 
 

 

 

 

 

 

 

 

 
 
 

 
     

Copyright 2018 Constantinos Zeinalipour

Webpage page was last updated on: January 1, 2018 legal