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Chemistry

D-Index
79
Citations
22643
World Ranking
3604
National Ranking
207

Overview

Nicholas M. Harrison is affiliated with Imperial College London in the United Kingdom. Their research primarily focuses on materials science, with a strong emphasis on materials chemistry, electronic, optical and magnetic materials, atomic and molecular physics and optics, condensed matter physics, and electrical and electronic engineering.

Their contributions cover a variety of specialized topics within these fields, including:

  • Corrosion Behavior and Inhibition
  • Hydrogen embrittlement and corrosion behaviors in metals
  • Machine Learning in Materials Science
  • Topological Materials and Phenomena
  • Advanced Condensed Matter Physics
  • Advanced Chemical Physics Studies
  • Gas Sensing Nanomaterials and Sensors

Nicholas M. Harrison has published extensively, with notable works including:

  • "The CRYSTAL code, 1976-2020 and beyond, a long story" (2020) in The Journal of Chemical Physics
  • "Corrosion inhibition of carbon steel in hydrochloric acid: Elucidating the performance of an imidazoline-based surfactant" (2020) in Corrosion Science
  • "Corrosion inhibition in acidic environments: key interfacial insights with photoelectron spectroscopy" (2022) in Faraday Discussions
  • "CRYSTALpytools: A Python infrastructure for the Crystal code" (2023) in Computer Physics Communications
  • "Role of electron localisation in H adsorption and hydride formation in the Mg basal plane under aqueous corrosion: a first-principles study" (2023) in Physical Chemistry Chemical Physics

Their frequent co-authors reflect collaborative research efforts and include:

  • Giuseppe Mallia
  • E. Ahmad
  • Bingxin Li
  • Andrew P. Horsfield
  • R. Lindsay

The scientist's work is often published in venues such as:

  • arXiv (Cornell University)
  • The Journal of Chemical Physics
  • SSRN Electronic Journal
  • Corrosion Science
  • Physical Chemistry Chemical Physics

The broad scope of Nicholas M. Harrison's research spans theoretical and applied areas of materials science. Their focus incorporates both experimental and computational approaches to chemical physics and materials chemistry, with intensive study of corrosion processes, hydrogen-related material behaviors, and emerging materials phenomena.

This body of work contributes to advancing understanding in their fields of study, providing insights into material interactions on atomic and molecular scales and supporting development in fields like nanomaterials and sensor technologies.

Best Publications

  • On the prediction of band gaps from hybrid functional theory

    J. Muscat;A. Wander;N.M. Harrison;N.M. Harrison

  • Electronic structure and magnetic properties of graphitic ribbons

    L. Pisani;J. A. Chan;B. Montanari;N. M. Harrison;N. M. Harrison

  • First-principles calculations of the phase stability of TiO 2

    Joseph Muscat;Varghese Swamy;Nicholas M. Harrison

  • Ab initio study of MnO and NiO

    M. D. Towler;N. L. Allan;N. M. Harrison;V. R. Saunders

  • Stability of polar oxide surfaces

    A. Wander;F. Schedin;P. Steadman;A. Norris

  • Materials Science - The hardest known oxide

    Leonid S Dubrovinsky;Natalia A Dubrovinskaia;Varghese Swamy;Joseph Muscat

  • Mixed dissociative and molecular adsorption of water on the rutile (110) surface

    Philip J. D. Lindan;N. M. Harrison;M. J. Gillan

  • Magnetic-field-induced condensation of triplons in Han Purple pigment BaCuSi2O6.

    M. Jaime;V. F. Correa;N. Harrison;C. D. Batista

  • Quantum oscillations in the underdoped cuprate YBa2Cu4O8.

    E. A. Yelland;J. Singleton;C. H. Mielke;N. Harrison

  • Analytical Hartree-Fock gradients for periodic systems

    K. Doll;V. R. Saunders;N. M. Harrison;N. M. Harrison

  • A multi-component Fermi surface in the vortex state of an underdoped high-Tc superconductor.

    Suchitra E. Sebastian;N. Harrison;E. Palm;T. P. Murphy

  • Effect of Diffusion on Lithium Intercalation in Titanium Dioxide

    M.V. Koudriachova;N.M. Harrison;N.M. Harrison;S.W. de Leeuw

  • FIRST-PRINCIPLES SPIN-POLARIZED CALCULATIONS ON THE REDUCED AND RECONSTRUCTED TIO2 (110) SURFACE

    P. J. D. Lindan;N. M. Harrison;M. J. Gillan;J. A. White

  • Structural transformations in graphene studied with high spatial and temporal resolution

    Jamie H. Warner;Mark H. Rümmeli;Ling Ge;Thomas Gemming

  • Dynamics of single Fe atoms in graphene vacancies.

    Alex W. Robertson;Barbara Montanari;Kuang He;Judy Kim

  • Spin singlet formation in MgTi2O4: evidence of a helical dimerization pattern.

    M. Schmidt;M. Schmidt;W. Ratcliff;P. G. Radaelli;P. G. Radaelli;K. Refson

  • An ab initio study of ZnO(101̄0)

    A Wander;N.M Harrison

  • Structure and properties of ilmenite from first principles

    N. C. Wilson;N. C. Wilson;J. Muscat;D. Mkhonto;P. E. Ngoepe

  • WATER CHEMISTRY ON SURFACE DEFECT SITES : CHEMIDISSOCIATION VERSUS PHYSISORPTION ON MGO(001)

    C. A. Scamehorn;N. M. Harrison;M. I. McCarthy

  • First-principles molecular dynamics simulation of water dissociation on TiO2 (110)

    P.J.D. Lindan;N.M. Harrison;J.M. Holender;M.J. Gillan

  • Bose-Einstein condensation of S = 1 nickel spin degrees of freedom in NiCl2-4SC(NH2)2.

    V.S. Zapf;D. Zocco;Britt Rosendahl Hansen;Britt Rosendahl Hansen;M. Jaime

Frequent Co-Authors

K. Livingston
K. Livingston University of Glasgow
Volker D. Burkert
Volker D. Burkert Thomas Jefferson National Accelerator Facility
R. A. Schumacher
R. A. Schumacher Carnegie Mellon University
K. Hicks
K. Hicks Ohio University
M. Guidal
M. Guidal University of Paris-Saclay
G. Rosner
G. Rosner University of Glasgow
S. E. Kuhn
S. E. Kuhn Old Dominion University

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