Michael Nolan

Education:

BSc. Chemistry with German, Dublin City University 1997

MEngSc. NMRC, University College Cork, 1999

PhD. NMRC, University College Cork, 2004

Telephone: +353-21-490-extension or +353-21-490-4177

Fax: +353-21-4270271

Employment:

December 2003 - October 2005, Postdoctoral Researcher, Department of Chemistry, University of Dublin, Trinity College, Dublin

October 2005 - April 2009, Researcher, ETG Group, Tyndall National Institute

April 2009 - date, Staff Researcher, ETG Group, Tyndall National Institute
Research Interests:
  • Metal Oxides in Renewable Energy Applications
  • Intermetallic Alloys
  • Electronic Structure of oxides: catalysis and interfaces
  • Approaches beyond DFT for defects in metal oxides
  • Optical and electrical properties in transparent conducting oxides
  • Semiconducting Nanowires
Projects:
Teaching:
Publications:
Publication Volume Pages Year Publication Title List of Authors
PHYS CHEM CHEM PHYS 8 216 2006 CeO2 catalysed conversion of CO, NO2 and NO from first principles energetics M. Nolan, S.C. Parker, G.W. Watson
SOLID STATE IONICS 177 3069 2006 Oxygen Vacancy Formation and Migration in Ceria M. Nolan, J.E. Fearon, G.W. Watson
J PHYS CHEM B 110B 16600 2006 The Surface Dependence of CO Adsorption on Ceria M. Nolan, G.W. Watson
SURF SCI 600 L175-L178 2006 Vibrational Properties of CO on Ceria Surfaces M. Nolan, S.C. Parker, G.W. Watson
J PHYS CHEM B 110 2256 2006 Reduction of NO2 on Ceria Surfaces M. Nolan, S.C. Parker, G.W. Watson
PHYS CHEM CHEM PHYS 8 5350 2006 The p-type conduction mechanism in Cu2O: a first principles study M. Nolan, S.D. Elliott
J CHEM PHYS 125 144701 2006 Hole Localisation in Al Doped Silica: A DFT+U Description M. Nolan, G.W. Watson
THIN SOLID FILMS 515 8624 2007 Optical and microstructural properties of p-type SrCu2O2: First principles modeling and experimental studies M. Modreanu, M. Nolan, S.D. Elliott, O. Durand, B. Servet, G. Garry, H. Gehan, G. Huyberechts, E.L. Papadopoulou, M. Androulidaki, E. Aperathitis
J PHYS CHEM C 111b 7971 2007 Surface Sensitivity in Lithium-Doping of MgO: A Density Functional Theory Study with Correction for on-Site Coulomb Interactions D.O. Scanlon, A. Walsh, B.J. Morgan, M. Nolan, J. Fearon, G.W. Watson
NANO LETT 7 34 2007 Silicon Nanowire Band Gap Modification M. Nolan, S. O'Callaghan, G. Fagas, J.C. Greer, T. Frauenheim
THIN SOLID FILMS 516 1468 2008 Tuning the electronic structure of the transparent conducting oxide Cu2O M. Nolan, S.D. Elliott
PHYS REV B 77 235424 2008 Electronic structure of point defects in controlled self-doping of the TiO2 (110) surface: Combined photoemission spectroscopy and density functional theory study M. Nolan, S.D. Elliott, J.S. Mulley, R.A. Bennett, M. Basham, P.A. Mulheran
SURF SCI 602 2734 2008 Vacancy formation and CO adsorption on gold doped ceria surfaces M. Nolan, V. Soto, H. Metiu
THIN SOLID FILMS 516 8130 2008 Defects in Cu2O, CuAlO2 and SrCu2O2 transparent conducting oxides M. Nolan
THIN SOLID FILMS 516 8146 2008 Effect of chlorine doping on electrical and optical properties of ZnO thin films E. Chikoidze, M. Nolan, M. Modreanu, V. Sallet, P. Galtier
CHEM MATER 20 5522 2008 Tuning the Transparency of Cu2O with Substitutional Cation Doping M. Nolan, S.D. Elliott
J CHEM PHYS 131 244702 2009 Effect of La doping on CO adsorption at ceria surfaces I. Yeriskin, M. Nolan
J PHYS CHEM C 113 2425 2009 Molecular Adsorption on the Doped (110) Ceria Surface M. Nolan
PHYS CHEM CHEM PHYS 11 2156 2009 Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface M. Nolan, J.S. Mulley, R.A. Bennett
J CHEM PHYS 130 144702 2009 Healing of oxygen vacancies on reduced surfaces of gold-doped ceria M. Nolan
APPL PHYS A-MATER 96 543 2009 Non-stoichiometric oxide and metal interfaces and reactions R.A. Bennett, J.S. Mulley, M. Basham, M. Nolan, S.D. Elliott, P.A. Mulheran
BIOMATERIALS 31(13) 3439-3448 2010 Density functional theory simulation of titanium migration and reaction with oxygen in the early stages of oxidation of equiatomic NiTi alloy M. Nolan, S.A.M. Tofail
J PHYS-CONDENS MAT 22(13) 135004 2010 Doping of ceria surfaces with lanthanum a DFT+U study I. Yeriskin, M. Nolan
CHEM PHYS LETT 492 115-118 2010 Formation of Ce3+ at the cerium dioxide (1 1 0) surface by doping M. Nolan
PHYS CHEM CHEM PHYS 12 9742-9750 2010 The atomic level structure of the TiO2 NiTi interface M. Nolan, S.A.M. Tofail
PHYS CHEM CHEM PHYS 12 9763 2010 Surface and interstitial Ti diffusion at the rutile TiO2(110) surface P.A. Mulheran, M. Nolan, C.S. Browne, M. Basham, E. Sanville, R.A. Bennett
CHEM MATER 22 (1) 117-129 2010 Competing Mechanisms in atomic layer deposition of Er2O3versus La2O3 from cyclopentadienyl precursors M. Nolan, S.D. Elliott
Conference Title Location Proceedings/Journal Title Volume Pages Year Oral/Poster Publication Title List of Authors
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Title Authors Publication
Interactions of Thiol Molecules with Au13 Clusters. J. A. Larsson, M. Nolan and J. C. Greer. Journal of Physical Chemistry B, 106 (23); 5931-5937 (2002).
A basis set study for calculation of electronic excitations using Monte Carlo configuration interaction J.A. Larsson, L. Tong, T. Cheng, M. Nolan and J.C. Greer Journal of Chemical Physics, v. 114, p. 15 (2001)
Title Authors Publication
0 Records Matched
The Electronic Structure of Oxygen Vacancy Defects at the Low Index Surfaces of Ceria Michael Nolan, Stephen C. Parker and Graeme W. Watson Surface Science, 2005, 595, 223
The Electronic Structure Alkali Doped Alkaline Earth Metal Oxides: Li doping of MgO Studied with GGA and GGA+U Michael Nolan and Graeme W. Watson Surface Science, 2005, 586, 25
Density Functional Theory Studies of the Structure and Electronic Structure of Pure and Defective Low Index Surfaces of Ceria Michael Nolan, Dean C. Sayle, Stephen C. Parker and Graeme W. Watson Surface Science, 2005, 576, 217
The Structure and Electronic Structure of the Low Index Surfaces of Ceria from Density Functional Theory Calculations Michael Nolan, Dean C. Sayle, Stephen C. Parker and Graeme W. Watson Proceedings of the 3rd International Conference on Electronics Theory and Simulation of Materials, Part A, 2004, p 175
Molecular Dynamics Studies of the Phase Transitions in Homoploymers of p-Hydroxybenzoic Acid M. Nolan and J. C. Greer Journal of Physical Chemistry, 103 B:7111-7123, 1999
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