Presentations

Past and Forthcoming Conference/Seminar Presentations (Oral): (2007-present)

 

  • Invited D. O. Scanlon “Defect Chemistry of Emerging Materials for Photovoltaics”, International Conference on Defects in Insulating Materials (ICDIM 2016), Lyon, France, (2016)
  • Invited D. O. Scanlon “Computational Screening of Next Generation Solar Absorbers”, NanoEnergy – International Conference on Nanotechnology, Nanomaterials & Thin Films for Energy Applications, Liverpool, UK , (2016)
  • Invited D. O. Scanlon “Computational Design of Inorganic Solar Absorbers”, Ramsay Centenary Symposium, University College London, UK, (2016)
  • Invited D. O. Scanlon “Computational Design of Next Generation Materials for Solar Cell Applications”, RSC Award Seminar, School of Chemistry, Trinity College Dublin, Ireland, (2016)
  • Contributed D. O. Scanlon “BaSnO3 as an ideal TCO: A new understanding?”, Symposium N – Materials frontier for transparent advanced electronics II, eMRS Spring Meeting, Lille, France, (2016)
  • Invited D. O. Scanlon “Computational Design of Next Generation Materials for Solar Cell Applications”, Seminar, School of Chemistry, University of Leeds, UK, (2016)
  • Contributed D. O. Scanlon “Defect and Band Engineering in Sn-based Oxides”, Modelling of Advanced Functional Materials using Terascale Computing, Materials Chemistry Consortium Conference, University of Cardiff, Wales, UK, (2016)
  • Invited D. O. Scanlon “Computational Screening of Novel Bismuth Based Solar Absorbers”, Symposium EE1: Emerging Materials and Phenomena for Solar Energy Conversion, Materials Research Society (MRS) Spring Meeting, Phoenix, US, (2016)
  • Invited D. O. Scanlon “Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials are Determined by Local Coordination”, Symposium EE14 – Titanium Oxides-From Fundamental Understanding to Applications, Materials Research Society (MRS) Spring Meeting, Phoenix, US, (2016)
  • Invited D. O. Scanlon “Computational Design of Next Generation Materials for Solar Cell Applications”, Seminar, Department of Chemistry, University of Southampton, UK, (2015)
  • Invited D. O. Scanlon “Towards Next Generation TCOs: Insights from Density Functional Theory”, Symposium on Transparent conductive materials: from fundamental understanding to applications, eMRS Fall Meeting, Warsaw, Poland, (2015)
  • Invited D. O. Scanlon “Defect and Band Engineering in Sn-based Oxides”, 28th International Conference on Defects in Semiconductors, Espoo, Finland, (2015)
  • Contributed D. O. Scanlon “Computational discovery of novel earth abundant degenerate p-type phosphide semiconductors”, Energy Materials Symposium, MC12, University of York, UK, (2013)
  • Invited D. O. Scanlon “BaSnO3: The next generation of transparent conducting oxide?”, Seminar, Advanced Technology Institute, University of Surrey, UK, (2015)
  • Invited D. O. Scanlon “BaSnO3: The next generation of transparent conducting oxide?”, DPG Meeting, Berlin, Germany, (2015)
  • Invited D. O. Scanlon and J. Buckeridge “Polymorph engineering of TiO2: Understanding the correlation between local coordination, absolute reference potentials and practical applications”, Mathematics and Physical Sciences (MAPS) Research Festival, UCL, UK, (2015)
  • Contributed D. O. Scanlon and Aron Walsh “Structure property relationships in Wurtzite derived CuMO2 semiconductors”, Symposium on Semiconducting Oxides, MRS Fall Meeting, Boston, USA, (2014)
  • Contributed D. O. Scanlon and Aron Walsh “What is the role of Cu cooridnation in CuMO2 semiconductors”, Symposium on Transparent conducting oxides and related materials, eMRS Fall Meeting, Warsaw, Poland, (2014)
  • Keynote D. O. Scanlon “Structure Property Relationships in the Solid State: Implications for Energy Applications”, Materials Information, Characterization and Exploration (MICE-UK) Summer Workshop 2014, University of Bath, UK, (2014)
  • Invited D. O. Scanlon “Rational design of p-type TCOs”, Symposium on Recent Developments in the Research and Application of Transparent Conducting and Semiconducting Oxides, CIMTEC, Tuscany, Italy , (2014)
  • Invited D. O. Scanlon “Computationally driven discovery of new TCOs”, Computational Chemistry Seminar, University of Bristol, UK, (2014)
  • Invited D. O. Scanlon “TCOs by design”, Surfaces and Interfaces Village, Diamond Light Source, UK, (2014)
  • Invited D. O. Scanlon “Next generation TCOs: Insights from Theory”, Inorganic Chemistry Seminar, University College London, UK, (2014)
  • Invited D. O. Scanlon “Computational Materials Chemistry at Diamond and UCL”, Diamond Light Source, UK, (2013)
  • Invited D. O. Scanlon “New thermodynamic tools and new explanations: A snapshot of computational chemistry research in UCL”, Symposium in honour of Prof Patrick Jacobs, University College London, UK, (2013)
  • Contributed D. O. Scanlon “Defect Engineering in Prototypical Cubic Perovskite TCO BaSnO3”, Oxides Semiconductors symposium, Materials Research Society (MRS) Fall Meeting, Boston, USA, (2013)
  • Invited D. O. Scanlon “Electronic Structure and Defect Chemistry of II-IV-V2 Semiconductors”, AVS 60th International Symposium, Long Beach California, USA , (2013)
  • Invited D. O. Scanlon “Designing p-type TCOs: A challenge for solid state chemistry”, Solid state Chemistry Seminar, Department of Chemistry, University of Oxford, UK , (2013)
  • Contributed D. O. Scanlon “Defect Engineering in BaSnO3 : Towards High Performance Indium Free Transparent Conducting Oxides for Solar Cell Applications”, Energy Materials Symposium, MC11, University of Warwick, UK, (2013)
  • Invited D. O. Scanlon “P-type transparent conducting oxides: Intrinsic limitations and future directions”, Oxides Semiconductors symposium, Materials Research Society (MRS) Fall Meeting, Boston, USA, (2012)
  • Invited D. O. Scanlon “Rational design of degenerate p-type semiconductors”, Seminar in honour of Prof. C. R. A. Catlow’s 65th Birthday, University College London, UK, (2012)
  • Invited D. O. Scanlon “Controlling bulk conductivity in topological insulators: The defect chemistry is the key”, Inorganic Chemistry Seminar, University College London, UK, (2012)
  • Contributed D. O. Scanlon “LaCuOSe: Degenerate p-type TCO?”, Workshop on novel conducting oxide materials for energy and optoelectronic applications, Trinity College Dublin, Ireland, (2012)
  • Contributed D. O. Scanlon, M. Burbano and G. W. Watson, “Sources of conductivity and doping limits in CdO from hybrid density functional theory”, CCP5 Annual Meeting, University of Bath, UK, (2011)
  • Invited D. O. Scanlon, “The defect chemistry of Cu2O”, Thomas Young Centre Lunch Time Get-together seminar, University College London, UK, (2011)
  • Invited D. O. Scanlon, A. B. Kehoe and G. W. Watson, “The interesting chemistry of thallium containing oxides: An explanation and a prediction”, Computational Materials and Inorganic Chemistry Group seminar, University College London, UK., (2011)
  • Contributed D. O. Scanlon and G. W. Watson, “Defect chemistry of CuAlO2 and CuCrO2: A HSE06 study”, Materials Research Society (MRS) Fall meeting, Boston, USA., (2010)
  • Contributed D. O. Scanlon and G. W. Watson, “Tuning band gaps in the [Cu2S2][Sr3Sc2O5] structure by cation replacement: Predicting new p-type oxide semiconductors using hybrid density functional theory”, Materials Research Society (MRS) Fall meeting, Boston, USA., (2010)
  • Contributed D. O. Scanlon, B. J. Morgan. and G. W. Watson, “Origin of the enhanced reducibility of Ce1-x(Pd/Pt)xO2: Importance of dopant geometry and crystal field splitting”, Materials Research Society (MRS) Fall meeting, Boston, USA., (2010)
  • Contributed D. O. Scanlon, B. J. Morgan, A. Walsh and G. W. Watson, “Tuning band gaps by cation replacement in the [Cu2S2][Sr3Sc2O5] structure: Predicting new p-type oxide semiconductors using hybrid density functional theory”, European Materials Research Society (eMRS) Fall Meeting, Warsaw University of Technology, Poland, (2010)
  • Contributed D. O. Scanlon and G. W. Watson, “Understanding p-type conductivity in CuCrO2 from ab initio studies” , European Materials Research Society (eMRS) Fall Meeting, Warsaw University of Technology, Poland , (2010)
  • Contributed D. O. Scanlon, B. J. Morgan, A. Walsh and G. W. Watson, “Understanding of the polaronic defect chemistry of Cu2O from HSE06 calculations: Highlighting the failure of GGA and GGA+U methods” , Royal Society of Chemistry (RSC) Solid State Chemistry Group Easter Meeting, Mansfield College, Oxford University, UK , (2010)
  • Contributed D. O. Scanlon and G. W. Watson, “Optimizing Transparency in the [Cu2S2][Sr3Sc2O5] Structure: Predicting New p-type TCOs Using Hybrid Density Functional Theory” , Material Research Society (MRS) Spring Meeting, San Francisco, USA, (2010)
  • Contributed D. O. Scanlon and G. W. Watson, “The behaviour of hydrogen in Cu2O” , Material Research Society (MRS) Spring Meeting, San Francisco, USA, (2010)
  • Invited D. O. Scanlon, B. J. Morgan, A. Walsh and G. W. Watson, “Understanding conductivity in Cu(I) based materials” , Irish Association of High Performance Computing, Annual Meeting University College Dublin, Ireland, (2009)
  • Contributed D. O. Scanlon, P. R. L. Keating and G. W. Watson, “Intrinsic ferromagnetism in CeO2: Dispelling the myth of vacancy-site-localization mediated superexchange” , Workshop on: Computer simulation of oxides: dopants, defects and surfaces, Trinity College Dublin, Ireland, (2009)
  • Contributed D. O. Scanlon, B. J. Morgan, A. Walsh and G. W. Watson, “Electronic structure of Cu-based delafossite transparent conducting oxides” , Royal Society of Chemistry Solid State Chemistry Group, Easter Meeting, University College London, UK , (2009)
  • Contributed D. O. Scanlon, B. J. Morgan, A. Walsh and G. W. Watson, “Electronic structure of CuAl1-xCrxO2 (x = 0, 0.5, 1): A DFT + U study”, 2nd International Symposium on Transparent Conductive Oxides, Hersonissos, Crete, Greece, (2008)
  • Contributed D. O. Scanlon, B. J. Morgan, A. Walsh and G. W. Watson, “Surface sensitivity of hydrogen abstraction from methane on the low index surfaces of Li-doped MgO: A DFT + U study” , 12th International Conference on Theoretical Aspects of Catalysis, Varna, Bulgaria, (2008)