Controlling Electrical Conductance through a p-Conjugated Cruciform Molecule by Selective Anchoring to Gold Electrodes

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

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Design of two-photon molecular tandem architectures for solar cells by ab initio theory

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
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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

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1011bff3f40d9535862857965541269
https://doi.org/10.1039/c4sc03835e

Electrochemical control of single-molecule conductance by Fermi-level tuning and conjugation switching

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

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

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http://dro.dur.ac.uk/14788/1/14788.pdf

Atmospheric fate of methacrolein. 2. Formation of lactone and implications for organic aerosol production

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

Controlling Electrical Conductance through a π-Conjugated Cruciform Molecule by Selective Anchoring to Gold Electrodes.

Autor: Huang, Cancan¹, Chen, Songjie¹, Baruël Ørnsø, Kristian², Reber, David¹, Baghernejad, Masoud¹, Fu, Yongchun¹, Wandlowski, Thomas¹, Decurtins, Silvio¹, Hong, Wenjing¹ hong@dcb.unibe.ch, Thygesen, Kristian Sommer² thygesen@fysik.dtu.dk, Liu, Shi ‐ Xia¹ liu@dcb.unibe.ch

Publikováno v: Angewandte Chemie. 11/23/2015, Vol. 127 Issue 48, p14512-14515. 4p. 3 Graphs.