World's Best Scientists 2026 revealed!

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Materials Science

D-Index
64
Citations
13413
World Ranking
5956
National Ranking
26

Chemistry

D-Index
64
Citations
13317
World Ranking
8117
National Ranking
50

Overview

Egbert Zojer is affiliated with Graz University of Technology in Austria. Their research focuses primarily on materials science and engineering, with a notable presence in materials chemistry and electrical and electronic engineering. The subfields covered in their work also include inorganic chemistry, electronic, optical and magnetic materials, and biomedical engineering.

The scientist's research spans several main topics, including:

  • Metal-Organic Frameworks: Synthesis and Applications
  • Machine Learning in Materials Science
  • X-ray Diffraction in Crystallography
  • Molecular Junctions and Nanostructures
  • Thermal properties of materials
  • Organic Electronics and Photovoltaics
  • Covalent Organic Framework Applications

Egbert Zojer has contributed to various publication venues, most frequently publishing in:

  • arXiv (Cornell University)
  • The Cambridge Structural Database
  • Advanced Electronic Materials
  • npj Computational Materials
  • Advanced Materials

Some of the recent papers from their body of work include:

  • "Mechanism of mediated alkali peroxide oxidation and triplet versus singlet oxygen formation," 2021, Nature Chemistry
  • "First-principles calculations of hybrid inorganic-organic interfaces: from state-of-the-art to best practice," 2021, Physical Chemistry Chemical Physics
  • "Machine learned force-fields for an Ab-initio quality description of metal-organic frameworks," 2024, npj Computational Materials
  • "Porous Honeycomb Self-Assembled Monolayers: Tripodal Adsorption and Hidden Chirality of Carboxylate Anchored Triptycenes on Ag," 2021, ACS Nano
  • "Concept of Embedded Dipoles as a Versatile Tool for Surface Engineering," 2022, Accounts of Chemical Research

Frequent co-authors collaborating with Egbert Zojer include:

  • Tomas Kamencek
  • Sandro Wieser
  • Michael Zharnikov
  • Christian Slugovc
  • Giulia Nascimbeni

Best Publications

  • Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems

    Victor G. Ruiz;Wei Liu;Egbert Zojer;Matthias Scheffler

  • The interface energetics of self-assembled monolayers on metals.

    Georg Heimel;Georg Heimel;Lorenz Romaner;Lorenz Romaner;Egbert Zojer;Egbert Zojer;Jean-Luc Bredas

  • Role of dimensionality on the two-photon absorption response of conjugated molecules: The case of octupolar compounds

    D. Beljonne;W. Wenseleers;Egbert Zojer;Z. Shuai

  • Toward Control of the Metal−Organic Interfacial Electronic Structure in Molecular Electronics: A First-Principles Study on Self-Assembled Monolayers of π-Conjugated Molecules on Noble Metals

    Georg Heimel;Lorenz Romaner;Egbert Zojer;Jean-Luc Brédas

  • Interface energetics and level alignment at covalent metal-molecule junctions: pi-conjugated thiols on gold

    Georg Heimel;Lorenz Romaner;Lorenz Romaner;Jean-Luc Brédas;Egbert Zojer;Egbert Zojer

  • Van der Waals interactions between organic adsorbates and at organic/inorganic interfaces

    Alexandre Tkatchenko;Lorenz Romaner;Oliver T. Hofmann;Egbert Zojer

  • The Origin of Green Emission in Polyfluorene‐Based Conjugated Polymers: On‐Chain Defect Fluorescence

    Lorenz Romaner;Lorenz Romaner;Alexander Pogantsch;P. Scandiucci de Freitas;U. Scherf

  • Metal-Ion Sensing Fluorophores with Large Two-Photon Absorption Cross Sections: Aza-Crown Ether Substituted Donor-Acceptor-Donor Distyrylbenzenes

    Stephanie J. K. Pond;Osamu Tsutsumi;Mariacristina Rumi;Ohyun Kwon

  • Extended Squaraine Dyes with Large Two-Photon Absorption Cross-Sections

    Sung-Jae Chung;Shijun Zheng;Toru Odani;Luca Beverina

  • Impact of bidirectional charge transfer and molecular distortions on the electronic structure of a metal-organic interface.

    Lorenz Romaner;Georg Heimel;Jean-Luc Brédas;Alexander Gerlach

  • Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)

    Lorenz Romaner;Lorenz Romaner;Dimitri Nabok;Peter Puschnig;Egbert Zojer

  • Two-photon absorption at telecommunications wavelengths in a dipolar chromophore with a pyrrole auxiliary donor and thiazole auxiliary acceptor.

    Luca Beverina;Jie Fu;Amalia Leclercq;Egbert Zojer

  • Modeling the Electronic Properties of π‐Conjugated Self‐Assembled Monolayers

    Georg Heimel;Ferdinand Rissner;Egbert Zojer

  • Green emission from poly(fluorene)s: The role of oxidation

    Egbert Zojer;Alexander Pogantsch;Emmanuelle Hennebicq;David Beljonne

  • Understanding Chemical versus Electrostatic Shifts in X-ray Photoelectron Spectra of Organic Self-Assembled Monolayers

    Thomas C. Taucher;Iris Hehn;Oliver T. Hofmann;Michael Zharnikov

  • Resonant enhancement of two-photon absorption in substituted fluorene molecules

    Joel M. Hales;David J. Hagan;Eric W. Van Stryland;K. J. Schafer

  • Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional

    David A. Egger;Shira Weissman;Sivan Refaely-Abramson;Sahar Sharifzadeh

  • Organic/metal interfaces in self-assembled monolayers of conjugated thiols: A first-principles benchmark study

    Georg Heimel;Lorenz Romaner;Lorenz Romaner;Jean-Luc Brédas;Egbert Zojer;Egbert Zojer

  • Pyrroline Chromophores for Electro-Optics

    Sei Hum Jang;Jingdong Luo;Neil M. Tucker;Amalia Leclercq

  • Tuning the two-photon absorption response of quadrupolar organic molecules

    Egbert Zojer;D. Beljonne;T. Kogej;H. Vogel

  • The Impact of Dipolar Layers on the Electronic Properties of Organic/Inorganic Hybrid Interfaces

    Egbert Zojer;Thomas C. Taucher;Oliver T. Hofmann

Frequent Co-Authors

Jean-Luc Brédas
Jean-Luc Brédas University of Arizona
Christian Slugovc
Christian Slugovc Graz University of Technology
Roland Resel
Roland Resel Graz University of Technology
Norbert Koch
Norbert Koch Humboldt-Universität zu Berlin
Günther Leising
Günther Leising Graz University of Technology
Emil J. W. List
Emil J. W. List Humboldt-Universität zu Berlin
Seth R. Marder
Seth R. Marder University of Colorado Boulder
Stephen Barlow
Stephen Barlow Georgia Institute of Technology
Zhigang Shuai
Zhigang Shuai Tsinghua University
Barbara Stadlober
Barbara Stadlober Joanneum Research

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