D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 83 Citations 25,357 563 World Ranking 1245 National Ranking 26

Research.com Recognitions

Awards & Achievements

2017 - Member of Academia Europaea

2009 - Member of the European Academy of Sciences

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Catalysis
  • Hydrogen

Density functional theory, Chemical physics, Catalysis, Adsorption and Computational chemistry are his primary areas of study. His Density functional theory research incorporates themes from Wave function, Inductive coupling, Electronic structure, Condensed matter physics and Coupling constant. The study incorporates disciplines such as Particle, Cluster, Ionic bonding, Vacancy defect and Chemisorption in addition to Chemical physics.

His Catalysis study integrates concerns from other disciplines, such as Inorganic chemistry, Nanoparticle, Metal and Photochemistry. His Adsorption research integrates issues from Transition metal, Transition metal carbides, Hydrogen molecule, Dissociation and Atomic physics. His study looks at the intersection of Computational chemistry and topics like Physical chemistry with Reaction rate.

His most cited work include:

  • Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles (519 citations)
  • First-principles LDA + U and GGA + U study of cerium oxides: Dependence on the effective U parameter (472 citations)
  • Origin of the Large N 1s Binding Energy in X-ray Photoelectron Spectra of Calcined Carbonaceous Materials (387 citations)

What are the main themes of his work throughout his whole career to date?

Francesc Illas spends much of his time researching Density functional theory, Chemical physics, Ab initio, Computational chemistry and Adsorption. His Density functional theory research is multidisciplinary, incorporating perspectives in Crystallography, Atom, Electronic structure, Condensed matter physics and Surface. His studies deal with areas such as Nanoparticle, Nanotechnology, Vacancy defect and Anatase as well as Chemical physics.

His Ab initio study incorporates themes from Ab initio quantum chemistry methods, Cluster, Ionic bonding, Molecular physics and Atomic physics. Francesc Illas has included themes like Inorganic chemistry, Molecule, Catalysis and Dissociation in his Adsorption study. Francesc Illas studied Catalysis and Metal that intersect with Oxide.

He most often published in these fields:

  • Density functional theory (32.79%)
  • Chemical physics (22.60%)
  • Ab initio (22.30%)

What were the highlights of his more recent work (between 2014-2021)?

  • Density functional theory (32.79%)
  • Chemical physics (22.60%)
  • Catalysis (15.36%)

In recent papers he was focusing on the following fields of study:

Francesc Illas mostly deals with Density functional theory, Chemical physics, Catalysis, Adsorption and Nanoparticle. His work carried out in the field of Density functional theory brings together such families of science as Electronic structure, Molecule, Transition metal and Physical chemistry. His study focuses on the intersection of Chemical physics and fields such as Oxide with connections in the field of Vacancy defect.

His work deals with themes such as Hydrogen, Inorganic chemistry, Carbide, Metal and Chemical engineering, which intersect with Catalysis. Francesc Illas focuses mostly in the field of Adsorption, narrowing it down to topics relating to Dissociation and, in certain cases, Water-gas shift reaction. His biological study deals with issues like Anatase, which deal with fields such as Electron, Crystallography and Rutile.

Between 2014 and 2021, his most popular works were:

  • Transition metal adatoms on graphene: A systematic density functional study (84 citations)
  • An Empirical, yet Practical Way To Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations (71 citations)
  • Transition metal carbides as novel materials for CO2 capture, storage, and activation (70 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Electron
  • Hydrogen

Francesc Illas mainly focuses on Density functional theory, Adsorption, Catalysis, Chemical physics and Nanoparticle. His Density functional theory research includes elements of Work, Condensed matter physics, Band gap, Electron and Binding energy. Francesc Illas has researched Adsorption in several fields, including Dispersion, Molecule, Graphene and Transition metal carbides.

His Catalysis study combines topics from a wide range of disciplines, such as Inorganic chemistry, Carbide and Dissociation. Francesc Illas has included themes like Computational chemistry, Electron configuration and Oxide in his Chemical physics study. Francesc Illas works mostly in the field of Nanoparticle, limiting it down to topics relating to Anatase and, in certain cases, Electronic structure, Crystallography, Rutile, Tio2 nanoparticles and Vacancy defect.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles

Georgi N. Vayssilov;Yaroslava Lykhach;Annapaola Migani;Thorsten Staudt.
Nature Materials (2011)

659 Citations

First-principles LDA + U and GGA + U study of cerium oxides: Dependence on the effective U parameter

Christoph Loschen;Javier Carrasco;Konstantin M. Neyman;Konstantin M. Neyman;Francesc Illas.
Physical Review B (2007)

649 Citations

A New Type of Strong Metal–Support Interaction and the Production of H2 through the Transformation of Water on Pt/CeO2(111) and Pt/CeOx/TiO2(110) Catalysts

Albert Bruix;José A. Rodriguez;Pedro J. Ramírez;Sanjaya D. Senanayake.
Journal of the American Chemical Society (2012)

527 Citations

A Molecular mechanism for the chemoselective hydrogenation of substituted nitroaromatics with nanoparticles of gold on TiO2 catalysts: a cooperative effect between gold and the support.

Mercè Boronat;Patricia Concepción;Avelino Corma;Silvia González.
Journal of the American Chemical Society (2007)

517 Citations

Origin of the Large N 1s Binding Energy in X-ray Photoelectron Spectra of Calcined Carbonaceous Materials

Jordi Casanovas;Josep Manel Ricart;Jaime Rubio;Francesc Illas.
Journal of the American Chemical Society (1996)

508 Citations

Effect of Fock exchange on the electronic structure and magnetic coupling in NiO

Ibério De P. R. Moreira;Francesc Illas;Richard L. Martin.
Physical Review B (2002)

397 Citations

Ab Initio Cluster Model Calculations on the Chemisorption of CO2 and SO2 Probe Molecules on MgO and CaO (100) Surfaces. A Theoretical Measure of Oxide Basicity

Gianfranco Pacchioni;Josep M. Ricart;Francesc Illas.
Journal of the American Chemical Society (1994)

333 Citations

Magnetic coupling in biradicals, binuclear complexes and wide-gap insulators: a survey of ab initio wave function and density functional theory approaches

Francesc Illas;Ibério P. R. Moreira;Coen de Graaf;Vincenzo Barone.
Theoretical Chemistry Accounts (2000)

313 Citations

Maximum Noble‐Metal Efficiency in Catalytic Materials: Atomically Dispersed Surface Platinum

Albert Bruix;Yaroslava Lykhach;Iva Matolínová;Armin Neitzel.
Angewandte Chemie (2014)

304 Citations

Antiferromagnetic Exchange Interactions from Hybrid Density Functional Theory

Richard L. Martin;Francesc Illas.
Physical Review Letters (1997)

296 Citations

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