Dr David Mora Fonz

David Mora Fonz
Computational Chemist

Studying physicochemical properties of metal oxide surfaces and their interaction with nanoparticles using computational methods

Education
PhD in Computational Chemistry
2012-2016
University College London (UCL)
BSc, Chemical Engineering
2005-2011
Juarez Autonomous University of Tabasco (UJAT), Mexico

Grade 98.5/100, graduated with honours, highest grade from over 100 students

High School Certificate
2002-2005
C.B.T.i.s. No. 32, Mexico
Grade 97/100
PhD Research
A Theoretical Study on the Surfaces of Zinc Oxide
University College London, UK
Prof. C. Richard A. Catlow and Dr. Scott M. Woodley

A study of the atomic structure, stability and electronic features of metal oxide surfaces

Bachelor Thesis
Hydrodesulfurization of 4,6-DMDBT with NiMoP/TiO2 Catalyst Prepared with Reduced Heteropolycompounds. Inhibitor Effect of Compounds with Nitrogen
UJAT, Mexico
Dr. Aída Gutiérrez Alejandre (UNAM, Mexico) and Dr. Miguel Ángel Hernández Rivera (UJAT, Mexico)
Synthesis, characterisation and testing of new catalysts for cleaning fossil fuels
Research Visits
  • 2015 – Research visit to the group of Professor Stefan T. Bromley in the Institute of Theoretical and Computational Chemistry at the University of Barcelona (IQTCUB). The project was focused on fitting new Cu/ZnO interatomic potentials (1 month)
  • 2010 – “Student Mobility” program, Catalysis Investigation Unit (UNICAT), UNAM, Mexico (8 months)
  • 2010 – Summer of the scientific research, Catalysis Investigation Unit (UNICAT), UNAM, Mexico (2 months)
  • 2008 – Summer of the scientific research, Catalysis Investigation Unit (UNICAT), UNAM, Mexico (2 months)
Conferences & Meetings
Oral Presentations
  1. “Modelling of Charge Trapping in Amorphous ZnO”, International Workshop on Zinc Oxide and Other Oxide Semiconductors, Warsaw, Poland (September 2018)
  2. “Amorphous ZnO: Structure, Electronic Properties and Charge Trapping”, International Materials Research Congress, Cancun, Mexico (August 2018)
  3. “The Study of ZnO Surfaces Using Computational Techniques”, 2016 Innovation Match, Guadalajara, Jalisco, México (April 2016)
  4. “Explaining the Stability of the Polar Surfaces of ZnO Using Interatomic Potentials”, MCC 2nd Conference, Cardiff University, Cardiff, UK (April 2016)
  5. “A Theoretical Study in the Stability of the Polar Surfaces of ZnO”, 2015 MRS Fall Meeting, Boston, Massachusetts, USA (December 2015)
  6. “A Hybrid DFT Study on the Morphological Features and Band Bending at the (1010) and (1120) ZnO Surfaces”, 2015 MRS Fall Meeting, Boston, Massachusetts, USA (December 2015)
  7. “Surface Reconstructions at Polar Surfaces of ZnO”, The 46th Annual BACG Conference, Queen Mary University, London, UK (June 2015)
  8. “Stability of ZnO Polar Surfaces”, EMRS Meeting, Warsaw, Poland (September 2014)
  9. “A DFT Study of the MoO3/Fe2O3 System: a Model Catalyst for the Formaldehyde Synthesis”, International Materials Research Congress, Cancun, Mexico (August 2014)
  10. “Why are Polar Surfaces of ZnO Stable?”, International Conference on the Physics of Semiconductors, Austin, Texas (August 2014)
  11. “A Study of the Nonpolar (1010) and (1120) ZnO Surfaces and a Stabilisation Mechanism for the Polar (0001)-Zn Surface”, Renewable Energy and Solid-State Chemistry Conference, Mansfield, UK (April 2014)
  12. “CO2 Hydrogenation for Methanol Synthesis”, National Congress of Chemical Engineering, Villahermosa Tabasco, Mexico (August 2012)
  13. “Computational Modelling Studies in the Hydrogenation of CO2 for Methanol Synthesis”, National Congress of Science, Cunduacán Tabasco, Mexico (August 2012)
Poster Presentations
  1. “Modelling Amorphous ZnO: Structure and Electronic Properties”, International Conference on the Physics of Semiconductors, Montpellier, France (July 2018)
  2. “An ab-initio Approach in the Geometry and Electronic Structure of Nonpolar ZnO Surfaces”, EMRS Spring Meeting, Lille, France (May 2015)
  3. “Stability of ZnO Polar Surfaces”, Departmental Postgraduate Poster Session, University College London, UK (June 2014)
  4. “Knowledge-Led Master Code. An Automation Tool for Computational Scientists”, RSC Solid State Christmas Conference, Bath, UK (November 2013)
  5. “HDS of 4,6-DMDBT with NiMoP Catalysts Supported on Alumina. Effect of the Incorpo- ration Method of P”, National Expo-Sciencies, Puebla, Mexico (October 2008)
  6. “HDS of 4,6-DMDBT with NiMoP Catalysts Supported on Alumina. Effect of the Incorpo- ration Method of P”, Chemistry Forum, Juarez Autonomous University of Tabasco, Mexico (November 2008)
Awards & Scholarships
  • National Researcher Candidate in the National System of Researchers-CONACyT (Mexico), 2017-2019
  • Member of the European Cooperation in Science and Technology, Action CM1104 (Reducible oxide chemistry, structure and functions), Working Group 2 (Synthesis and Characterisation), 2015-present
  • Dean’s Prize by the Faculty of Mathematical and Physical Sciences at UCL (UK), 2012-2015
  • SEP (Mexico) scholarship holder, 2013-2015
  • CONACyT (Mexico) scholarship holder, 2012-2016
  • UJAT (Mexico) scholarship holder, 2012-2016
  • First place poster presentation, Chemistry Forum 2008, Cunduacán Tabasco, UJAT, November 2008
  • Scholarship from the Mexican program “Becanet” to distinguished students, 2009
  • Scholarship from the TELMEX foundation, 2006-2010
  • Scholarship recipient from the “National Scholarship Program”, 2002-2009
  • Sport scholarship from the Tabasco Institute for the Youth and Sport (INJUDET), 1994-2005
Languages

Spanish, English

Extra-Curricular Activities
  • First board player, representing UCL, in the British Universities’ Chess Association Championship, Birmingham, UK, 2014-2016
  • Best Mexican player under 18, World Youth Chess Championship, Belfort France, July 2005 􏰃
  • 5 times national chess champion in Mexico
  • 8 times second place in national chess championships in Mexico
  • 6 times third place in national chess championships in Mexico
  • More than 40 participations in national and international chess tournaments 􏰃
  • International chess player since 2005
  • Mexican national chess player since 1994
  • Current FIDE rating: 2147
Expertise
(Hybrid) Density Functional Theory Interatomic Potentials Metal Oxide Surfaces Catalysis Computational Chemistry Global Optimisation Techniques
Skill Set
VASP code GULP code KLMC code Python & Bash Scripting Latex Linux/Unix Gnuplot Xmgrace High-Performance Computing (HPC)