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
Materials Science D-index 63 Citations 15,172 314 World Ranking 2670 National Ranking 174

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Electron
  • Hydrogen

His primary areas of investigation include Condensed matter physics, Density functional theory, Tight binding, Molecular physics and Chemical physics. While the research belongs to areas of Condensed matter physics, Thomas Frauenheim spends his time largely on the problem of Quantum dot, intersecting his research to questions surrounding Electronvolt, Atomic orbital and Functional group. His work carried out in the field of Density functional theory brings together such families of science as Non-equilibrium thermodynamics, Magnetic moment, Spectral line, Atomic physics and Electron.

His Tight binding research is classified as research in Electronic structure. Thomas Frauenheim combines subjects such as Diamond, Isotropy, Computational chemistry, Anisotropic elasticity and Elastic energy with his study of Molecular physics. His Chemical physics research is multidisciplinary, incorporating elements of Adsorption, Molecule, Hydronium, Stereochemistry and Grotthuss mechanism.

His most cited work include:

  • Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment (809 citations)
  • Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V Response. (570 citations)
  • Atomistic simulations of complex materials: ground-state and excited-state properties (417 citations)

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

His primary areas of study are Condensed matter physics, Density functional theory, Chemical physics, Tight binding and Band gap. His Condensed matter physics study combines topics from a wide range of disciplines, such as Crystallography and Semiconductor. His work in Density functional theory tackles topics such as Electron which are related to areas like Atomic physics.

The various areas that Thomas Frauenheim examines in his Chemical physics study include Monolayer, Nanotechnology, Adsorption and Dielectric. His Tight binding study integrates concerns from other disciplines, such as Molecular physics, Ab initio, Charge density and Molecular dynamics. The concepts of his Molecular physics study are interwoven with issues in Diamond and Vacancy defect.

He most often published in these fields:

  • Condensed matter physics (27.19%)
  • Density functional theory (20.67%)
  • Chemical physics (19.55%)

What were the highlights of his more recent work (between 2018-2021)?

  • Chemical physics (19.55%)
  • Band gap (16.40%)
  • Density functional theory (20.67%)

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

Thomas Frauenheim mainly focuses on Chemical physics, Band gap, Density functional theory, Electronic structure and Condensed matter physics. His biological study spans a wide range of topics, including Nanostructure, Molecule, Carbon nanotube, Dielectric and Electron transfer. His Band gap research includes themes of Monolayer, Acceptor, Semiconductor and Photocatalytic water splitting.

Thomas Frauenheim has included themes like Quantum, Tight binding, Heterojunction and Ferromagnetism in his Density functional theory study. Thomas Frauenheim has researched Electronic structure in several fields, including Crystallographic defect and Transition metal. His Condensed matter physics research is multidisciplinary, relying on both Thermal conductivity and Scattering.

Between 2018 and 2021, his most popular works were:

  • DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. (78 citations)
  • Carbon in GaN: Calculations with an optimized hybrid functional (18 citations)
  • Plasmon-induced hot-carrier generation differences in gold and silver nanoclusters. (13 citations)

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

  • Quantum mechanics
  • Electron
  • Organic chemistry

Thomas Frauenheim mainly investigates Chemical physics, Band gap, Density functional theory, Molecular physics and Condensed matter physics. His Chemical physics study incorporates themes from Discrete element method, Bismuth, Adsorption, Mesoscopic physics and Carbon nanotube. The Band gap study combines topics in areas such as Acceptor, Charge separation, Janus and Photocatalytic water splitting.

The various areas that he examines in his Density functional theory study include Quantum and Tight binding. His Molecular physics research focuses on subjects like Vacancy defect, which are linked to Doping. His study in Condensed matter physics is interdisciplinary in nature, drawing from both Monolayer and Semiconductor.

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

Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

Marcus Elstner;Pavel Hobza;Thomas Frauenheim;Sándor Suhai.
Journal of Chemical Physics (2001)

1121 Citations

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V Response.

Liangzhi Kou;Thomas Frauenheim;Changfeng Chen.
Journal of Physical Chemistry Letters (2014)

697 Citations

Atomistic simulations of complex materials: ground-state and excited-state properties

Thomas Frauenheim;Gotthard Seifert;Marcus Elstner;Thomas Niehaus.
Journal of Physics: Condensed Matter (2002)

606 Citations

Oscillatory crossover from two-dimensional to three-dimensional topological insulators

Chao-Xing Liu;Chao-Xing Liu;HaiJun Zhang;Binghai Yan;Xiao-Liang Qi.
Physical Review B (2010)

504 Citations

Structure and electronic properties of MoS2 nanotubes

Gotthard Seifert;Humberto Terrones;Humberto Terrones;Mauricio Terrones;Gerd Jungnickel.
Physical Review Letters (2000)

415 Citations

Hydrogen adsorption and storage in carbon nanotubes

Seung Mi Lee;Ki Soo Park;Young Chul Choi;Young Soo Park.
Synthetic Metals (2000)

336 Citations

Tight-binding molecular-dynamics simulation of impurities in ultrananocrystalline diamond grain boundaries

Peter Zapol;Michael Sternberg;Larry A. Curtiss;Thomas Frauenheim.
Physical Review B (2001)

315 Citations

Stability and electronic structure of GaN nanotubes from density-functional calculations

Seung Mi Lee;Young Hee Lee;Yong Gyoo Hwang;J. Elsner.
Physical Review B (1999)

287 Citations

A hydrogen storage mechanism in single-walled carbon nanotubes.

Seung Mi Lee;Kay Hyeok An;Young Hee Lee;Gotthard Seifert.
Journal of the American Chemical Society (2001)

277 Citations

Calculating absorption shifts for retinal proteins: Computational challenges

Wanko M;Hoffmann M;Strodel P;Strodel P;Koslowski A.
Journal of Physical Chemistry B (2005)

266 Citations

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