Publications | Lund University Publications

1 – 10 of 75

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/publication?embed=1&q=keywords+exact+%22Density+Functional+Theory%22&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

« previous
1
2
3
4
…
7
8
next »

2025
Mark Hydroxylation of an ultrathin Co₃O₄(111) film on Ir(100) studied by in situ ambient pressure XPS and DFT
Haunold, Thomas ; Anić, Krešimir ; Genest, Alexander ; Rameshan, Christoph ; Roiaz, Matteo ; Li, Hao ; Wicht, Thomas ; Knudsen, Jan ^LU and Rupprechter, Günther (2025) In Surface Science 751.
- Contribution to journal › Article
Mark Oxidative Depolymerization of Hardwood Lignin to High-Value Aromatics : Optimization by Response Surface Methodology and DFT Study of the Monomers
Ajakaiye Jensen, Lucy I. ^LU ; El Manira, Lina ; Bekirovska, Selda ^LU ; Alkhater, Mohammed F. ; Charmillot, Justine ; Hulteberg, Christian P. ^LU and Abdelaziz, Omar Y. ^LU (2025) In Topics in Catalysis
- Contribution to journal › Article
Mark Theoretical study of novel D-A-π-A-π-A conjugated organic dye sensitizers : impact of alkyl chain and electron-withdrawing functional groups substitution
Li, Jingping ; Guo, Huijie ; Zhong, Yanan ; Pullerits, Tõnu ^LU and Song, Peng (2025) In Solar Energy 297.
- Contribution to journal › Article
2024
Mark Investigating Elastic Deformation of Ordered Precipitates by Ab Initio-Informed Phase-Field Crystal Modeling
Holmberg-Kasa, Jacob ^LU ; Olsson, Pär A.T. ^LU and Fisk, Martin ^LU (2024) In Metals 14(12).
- Contribution to journal › Article
Mark Topological Superconductivity in Heavily Doped Single-Layer Graphene
Herrera, Saúl A. ; Parra-Martínez, Guillermo ; Rosenzweig, Philipp ; Matta, Bharti ; Polley, Craig M. ^LU ; Küster, Kathrin ; Starke, Ulrich ; Guinea, Francisco ; Silva-Guillén, José Ángel and Naumis, Gerardo G. , et al. (2024) In ACS Nano 18(51). p.34842-34857
- Contribution to journal › Article
Mark Operando Investigation of WS₂ Gas Sensors : Simultaneous Ambient Pressure X-ray Photoelectron Spectroscopy and Electrical Characterization in Unveiling Sensing Mechanisms during Toxic Gas Exposure
Scardamaglia, Mattia ^LU ; Casanova-Cháfer, Juan ; Temperton, Robert ^LU ; Annanouch, Fatima Ezahra ; Mohammadpour, Amin ; Malandra, Gabriel ; Das, Arkaprava ; Alagh, Aanchal ; Arbouch, Imane and Montoisy, Loïc , et al. (2024) In ACS Sensors 9(8). p.4079-4088
- Contribution to journal › Article
Mark Modeling Photofunctional Transition Metal Complexes
Bolano Losada, Iria ^LU (2024)
- Thesis › Doctoral thesis (compilation)
2023
Mark Effect of Different In₂O₃(111) Surface Terminations on CO₂ Adsorption
Gericke, Sabrina M. ^LU ; Kauppinen, Minttu M. ; Wagner, Margareta ; Riva, Michele ; Franceschi, Giada ; Posada-Borbón, Alvaro ; Rämisch, Lisa ^LU ; Pfaff, Sebastian ^LU ; Rheinfrank, Erik and Imre, Alexander M. , et al. (2023) In ACS Applied Materials and Interfaces 15(38). p.45367-45377
- Contribution to journal › Article
Mark Role of CsMnCl₃Nanocrystal Structure on Its Luminescence Properties
Matuhina, Anastasia ; Grandhi, G. Krishnamurthy ; Pan, Fang ; Liu, Maning ^LU ; Ali-Löytty, Harri ; Ayedh, Hussein M. ; Tukiainen, Antti ; Smått, Jan Henrik ; Vähänissi, Ville and Savin, Hele , et al. (2023) In ACS Applied Nano Materials 6(2). p.953-965
- Contribution to journal › Article
Mark Photophysics and Photochemistry of Iron Carbene Complexes
Lindh, Linnea ^LU (2023)
- Thesis › Doctoral thesis (compilation)

« previous
1
2
3
4
…
7
8
next »

your query:: Remove keywords: Density Functional Theory