Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Kristian Baruël Ørnsø"'
Autor:
Yongchun Fu, Thomas Wandlowski, Songjie Chen, Masoud Baghernejad, David Reber, Silvio Decurtins, Shi-Xia Liu, Wenjing Hong, Kristian Baruël Ørnsø, Kristian Sommer Thygesen, Cancan Huang
Publikováno v:
Angewandte Chemie (International ed. in English)
Tuning charge transport at the single-molecule level plays a crucial role in the construction of molecular electronic devices. Introduced herein is a promising and operationally simple approach to tune two distinct charge-transport pathways through a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40df902fcd52955119150b7c96eb7dfb
Autor:
Ole John Nielsen, Matthew S. Johnson, Solvejg Jørgensen, Kristian Baruël Ørnsø, V. F. Andersen
Publikováno v:
The Journal of Physical Chemistry A. 116:5164-5179
Ethyl propionate is a model for fatty acid ethyl esters used as first-generation biodiesel. The atmospheric chemistry of ethyl propionate was investigated at 980 mbar total pressure. Relative rate measurements in 980 mbar N(2) at 293 ± 0.5 K were us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee3bed973ee5767172865c7f4af8a62f
https://doi.org/10.1021/jp300897t
https://doi.org/10.1021/jp300897t
Autor:
Kristian Sommer Thygesen, Gema de la Torre, Kristian Baruël Ørnsø, Angel Rubio, Juan María García-Lastra, F. J. Himpsel
Publikováno v:
Ørnsø, K B, García Lastra, J M, De La Torre, G, Rubio, A & Thygesen, K S 2015, ' Design of two-photon molecular tandem architectures for solar cells by ab initio theory ', Chemical Science, vol. 6, pp. 3018-3025 . https://doi.org/10.1039/C4SC03835E
Chemical science 6(5), 3018-3025 (2015). doi:10.1039/C4SC03835E
Chemical Science
Digital.CSIC. Repositorio Institucional del CSIC
instname
Biblos-e Archivo. Repositorio Institucional de la UAM
Chemical science 6(5), 3018-3025 (2015). doi:10.1039/C4SC03835E
Chemical Science
Digital.CSIC. Repositorio Institucional del CSIC
instname
Biblos-e Archivo. Repositorio Institucional de la UAM
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
An extensive database of spectroscopic properties of molecules from ab initio calculations is used to design molecular complexes for use in tandem solar cells th
An extensive database of spectroscopic properties of molecules from ab initio calculations is used to design molecular complexes for use in tandem solar cells th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1011bff3f40d9535862857965541269
https://doi.org/10.1039/c4sc03835e
https://doi.org/10.1039/c4sc03835e
Publikováno v:
Ørnsø, K B, Jónsson, E Ö, Jacobsen, K W & Thygesen, K S 2015, ' Importance of the Reorganization Energy Barrier in Computational Design of Porphyrin-Based Solar Cells with Cobalt-Based Redox Mediators ', The Journal of Physical Chemistry Part C, vol. 119, pp. 12792-12800 . https://doi.org/10.1021/jp512627e
The shift from iodide based redox mediators in dye sensitized solar cells towards octahedral cobalt complexes has lead to a significant increase in the efficiency. However, due to the nature of this type of complexes the driving force required for th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::369f43061c76af572cdaad8214226cbc
https://orbit.dtu.dk/en/publications/5fb94a0b-3dce-49e1-af48-a22ef40c8021
https://orbit.dtu.dk/en/publications/5fb94a0b-3dce-49e1-af48-a22ef40c8021
Autor:
Wenjing Hong, Veerabhadrarao Kaliginedi, Masoud Baghernejad, Xiaotao Zhao, Pavel Moreno-García, Kristian Sommer Thygesen, Cancan Huang, Alexander V. Rudnev, Martin R. Bryce, Soma Vesztergom, Michael Füeg, Kristian Baruël Ørnsø, Thomas Wandlowski, Peter Broekmann
Publikováno v:
Journal of the American Chemical Society, 2014, Vol.136(52), pp.17922-17925 [Peer Reviewed Journal]
Journal of the American Chemical Society
Journal of the American Chemical Society
Controlling charge transport through a single molecule connected to metallic electrodes remains one of the most fundamental challenges of nanoelectronics. Here we use electrochemical gating to reversibly tune the conductance of two different organic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::32052dc80132b973e5d9084c40f383ff
http://dro.dur.ac.uk/14788/1/14788.pdf
http://dro.dur.ac.uk/14788/1/14788.pdf
Publikováno v:
Ørnsø, K B, García Lastra, J M & Thygesen, K S 2013, ' Computational screening of functionalized zinc porphyrins for dye sensitized solar cells ', Physical Chemistry Chemical Physics, vol. 15, no. 44, pp. 19478-19486 . https://doi.org/10.1039/c3cp54050b
An efficient dye sensitized solar cell (DSSC) is one possible solution to meet the world's rapidly increasing energy demands and associated climate challenges. This requires inexpensive and stable dyes with well-positioned frontier energy levels for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb5240cfe2a810cb0b3c1d5dfb9e70a0
https://pubmed.ncbi.nlm.nih.gov/24129651
https://pubmed.ncbi.nlm.nih.gov/24129651
Autor:
Solvejg Jørgensen, Paul O. Wennberg, Kristian Baruël Ørnsø, Henrik G. Kjaergaard, Hasse C. Knap, John D. Crounse, Fabien Paulot
Publikováno v:
The journal of physical chemistry. A. 116(24)
We investigate the oxidation of methacryloylperoxy nitrate (MPAN) and methacrylicperoxy acid (MPAA) by the hydroxyl radical (OH) theoretically, using both density functional theory [B3LYP] and explicitly correlated coupled cluster theory [CCSD(T)-F12
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::04f545afe166e5805ec0f824ccd2b4dc
https://pubmed.ncbi.nlm.nih.gov/22452294
https://pubmed.ncbi.nlm.nih.gov/22452294
Autor:
Kristian Baruël Ørnsø, Paul O. Wennberg, Hasse C. Knap, John D. Crounse, Henrik G. Kjaergaard, Solvejg Jørgensen, Fabien Paulot
Publikováno v:
The journal of physical chemistry. A. 116(24)
Peroxy radicals formed by addition of OH and O(2) to the olefinic carbon atoms in methacrolein react with NO to form methacrolein hydroxy nitrate and hydroxyacetone. We observe that the ratio of these two compounds, however, unexpectedly decreases as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89b041bfe54eaf747ff704e857479894
https://pubmed.ncbi.nlm.nih.gov/22452246
https://pubmed.ncbi.nlm.nih.gov/22452246