Eva Rauls

Professor

Eva Rauls

Kontakt

Telefon: 51834514

E-post: eva.rauls@uis.no

Rom: KE E-528

Sted: Stavanger

Organisasjonsenhet

Det teknisk- naturvitenskapelige fakultet

Institutt for matematikk og fysikk

Kort om meg

Research interests:

I am mainly using computational methods for investigating (macro-)molecular adsorbates, catalytic and electronic properties of single and selforganised molecules on various surfaces (like metals or graphitic surfaces).  The methods include both first principles and (semi-)empirical methods.

Currently, I am cooperating closely with the chemistry department on two new research projects. These projects include the study and functional design of supramolecular materials for gas sepration with a special focus on CO2-storage as well as the optimization of MOFs for separation and recycling of metals.

 

Short bio:

  • Diploma in theoretical physics, University of Paderborn, Germany (2000)
  • Dr. rer. nat. in theoretical physics, University of Paderborn, Germany (2003)
  • Feodor-Lynen-fellowship of the Alexander-von-Humboldt-Society, Aarhus (iNano), Denmark (2004-2006)
  • Post-doc and leader of independent research group “Computational materials science”, University of Paderborn, Germany (2009-2016)
  • Substitute professor of theortical physics, University of Osnabrück, (2013-2015)
  • Full professor, University of Stavanger (since 2017)

Publikasjoner

Vitenskapelige publikasjoner

Vitalii Stetsovych; Simon Feigl; Radovan Vranik; Bareld Wit; Eva Rauls; Jindrich Nejedly; Michal Samal; Ivo Stary; Stefan Müllegger

(2022)

Towards dielectric relaxation at a single molecule scale. I: Scientific Reports.

Scientific Reports.

ISSN 2045-2322.

Volum 12.

DOI: 10.1038/s41598-022-06684-9

Diana Slawig; Markus Gruschwitz; Uwe Gerstmann; Eva Rauls; Christoph Tegenkamp

(2021)

Adsorption and reaction of PbPc on hydrogenated epitaxial graphene. I: Journal of Physical Chemistry C.

Journal of Physical Chemistry C.

ISSN 1932-7447.

Volum 125.

s.20087-20093.

DOI: 10.1021/acs.jpcc.1c06320

Nhung T. T. Nguyen; T. Sollfrank; Christoph Tegenkamp; Eva Rauls; Uwe Gerstmann

(2021)

Impact of screening and relaxation onto weakly coupled two-dimensional heterostructures. I: Physical review B (PRB).

Physical review B (PRB).

ISSN 2469-9950.

Volum 103.

DOI: 10.1103/PhysRevB.103.L201408

H. J. von Bardeleben; Eva Rauls; Uwe Gerstmann

(2020)

Carbon vacancy-related centers in 3C-silicon carbide: Negative-U properties and structural transformation. I: Physical review B (PRB).

Physical review B (PRB).

ISSN 2469-9950.

Volum 101.

DOI: 10.1103/PhysRevB.101.184108

Mateusz Paszkiewicz; Timur Biktagirov; Hazem Aldahhak; Francesco Allegretti; Eva Rauls; Wolfgang Schoefberger; Wolf Gero Schmidt; Johannes V. Barth; Uwe Gerstmann; Florian Klappenberger

(2018)

Unraveling the Oxidation and Spin State of Mn−Corrole through X‐ray Spectroscopy and Quantum Chemical Analysis. I: The Journal of Physical Chemistry Letters.

The Journal of Physical Chemistry Letters.

ISSN 1948-7185.

Volum 9.

s.6412-6420.

DOI: 10.1021/acs.jpclett.8b02525

H. Aldahhak; M. Paszkiewicz; Eva Rauls; F. Allegretti; S. Tebi; A. C. Papageorgiou; Y.Q. Zhang; L Zhang; T. Lin; T. Paintner

(2018)

Identifying on-surface site-selective chemical conversions by theory-aided NEXAFS spectroscopy: The case of free-base corroles on Ag(111). I: Chemistry - A European Journal.

Chemistry - A European Journal.

ISSN 0947-6539.

Volum 24.

s.6787-6797.

DOI: 10.1002/chem.201705921

Formidling

Quoc Duy Ho; Eva Rauls

(2025)

Pillararenes for efficient CO₂ capture: A DFT study of adsorption mechanisms. I: International Conference on Carbon Dioxide Utilization 22nd.

International Conference on Carbon Dioxide Utilization 22nd.

Eva Rauls

(2024)

Effects of Functional Groups on the Adsorption of CO2 in Pillar[5]arenes. I: the 3rd French Supramolecular Chemistry Congress.

the 3rd French Supramolecular Chemistry Congress.

Venkatesh Bollabathini; Quoc Duy Ho; Eva Rauls; Sachin Maruti Chavan; Kåre Bredeli Jørgensen

(2024)

Pillararenes – Cage Molecules with a Potential for CO2 Capture. I: 1st LUCES global action meeting.

1st LUCES global action meeting.

Quoc Duy Ho; Eva Rauls

(2024)

Effects of Functional Groups on the Adsorption of CO2 in Pillar[5]arenes. I: 3rd French Supramolecular Chemistry Congress.

3rd French Supramolecular Chemistry Congress.

Eva Rauls; Uwe Gerstmann; Christoph Tegenkamp; Nhung Thi Trang Nguyen

(2023)

Impact of screening and relaxation on weakly coupled 2D heterostructures: implications for molecular spin-coupling. I: DPG-Tagung der Deutschen Physikalischen Gesellschaft.

DPG-Tagung der Deutschen Physikalischen Gesellschaft.

Quoc Duy Ho; Eva Rauls

(2023)

Pillar[n]arenes for separation of small gas molecules. I: VCTP48.

VCTP48.

Eva Rauls; Uwe Gerstmann; Christoph Tegenkamp; Nhung Thi Trang Nguyen

(2023)

Impact of screening and relaxation on weakly coupled 2D heterostructures: Implications for switchable molecular spin-coupling. I: VCTP48.

VCTP48.

Venkatesh Bollabathini; Quoc Duy Ho; Eva Rauls; Sachin Maruti Chavan; Kåre Bredeli Jørgensen

(2023)

Pillararenes - Cage Molecules with a Potential for CO2 Capture. I: OKV36 Organisk kjemisk vintermøte.

OKV36 Organisk kjemisk vintermøte.

Eva Rauls

(2022)

Atomistic Modelling at IMF. I: Modellering -- Fakultetsseminar UiS.

Modellering -- Fakultetsseminar UiS.

Eva Rauls

(2022)

IMPACT OF SCREENING AND RELAXATION ON WEAKLY COUPLED 2D HETEROSTRUCTURES: IMPLICATIONS FOR SWITCHABLE MOLECULAR SPIN-COUPLING. I: MolQuest.

MolQuest.

Eva Rauls

(2022)

The interesting properties of macromolecular adsorbates. I: University Seminar Bremen.

University Seminar Bremen.

Klaus Lips; Uwe Gerstmann; Eva Rauls

(2021)

Operando characterization of silicon heterojunction solar cells on the nanoscale with conduction AFM and electron spin resonance. I: XIX Brazil MRS Meeting IUMRS ICEM 2021.

XIX Brazil MRS Meeting IUMRS ICEM 2021.

Eva Rauls

(2019)

Bias-controlled doping of graphene with ice: a theoretical study. I: European Graphene Forum 2019.

European Graphene Forum 2019.

Eva Rauls

(2019)

On-Surface Site-Selective Chemical Conversions
 of Free Base Corroles on Ag(111) and Manganese Centered Corroles. I: MGHC19, .

MGHC19, .

Eva Rauls

(2019)

On-surface site-selective chemical conversions - macromolecules on Ag(111). I: Trends in Nanotechnology, TNT 2019.

Trends in Nanotechnology, TNT 2019.

Eva Rauls; Uwe Gerstmann

(2019)

Thin ice under pressure on graphene - a theoretical NMR study. I: European Graphene Forum 2019.

European Graphene Forum 2019.

Eva Rauls

(2018)

Identifying on-surface site-selective chemical conversions by theory-aided NEXAFS spectroscopy: Free base corroles on Ag(111). I: ECOSS 34, European Conference on Surface Science.

ECOSS 34, European Conference on Surface Science.

Eva Rauls

(2018)

Adsorption of Co- and Cu-Phthalocyanines on Au(100) surfaces. I: ECOSS 34, European Conference on Surface Science.

ECOSS 34, European Conference on Surface Science.

Eva Rauls; Hazem Aldahhak

(2017)

Free-base Corroles on Ag(111): Measuring and Modelling of On-surface Structural Transformations. I: ECOSS 33.

ECOSS 33.

Kilde: Nasjonalt vitenarkiv