Opendata, web and dolomites


Theoretical insides in endohedral metallofullerene based Self-Assembled Monolayers: Statics and Dynamics.

Total Cost €


EC-Contrib. €






Project "SamSD" data sheet

The following table provides information about the project.


Organization address
postcode: 1069

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Germany [DE]
 Total cost 171˙460 €
 EC max contribution 171˙460 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2016
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2017
 Duration (year-month-day) from 2017-11-01   to  2019-10-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 


 Project objective

Modeling of formation and properties self-assembled monolayer (SAM) is a very challenging task, especially if highly functional-ligands are concerned. It is true, for instance, in the case of endohedral metallofullerene (EMF) based SAM - a promising single molecular magnet (SMM) grids in-making. Properties of such SMM grids would be a function of SAM architecture (attachment types and crowding effects) and inner-cluster dynamics under these geometrical constrains. Electronic structure complexity of EMFs and structural mobility of ligands in SAMs brings a dual issue. On the one hand, a minimal level of theory to address the magnetic properties of the systems would require “complete active space”-quality methods, yet the whole size (~10E3 atoms) of the system makes these computations hardly feasible and is limited so far to single molecules. On the other hand, while the system dynamic can be approached by less computationally demanding semiclassical or even classical approaches, such methods are unable to give a reliable magneto-physics of the SMM unit. This project will offer a solution to this problem by extensive development of the multiscale methods (MSM), in which the whole system is divided into the regions described with different levels of theory accordingly to its complexity. Developed protocols and schemes would be universals across SAM field and highly profitable for the SMM industry on a whole.


year authors and title journal last update
List of publications.
2019 Fupin Liu, Georgios Velkos, Denis S. Krylov, Lukas Spree, Michal Zalibera, Rajyavardhan Ray, Nataliya A. Samoylova, Chia-Hsiang Chen, Marco Rosenkranz, Sandra Schiemenz, Frank Ziegs, Konstantin Nenkov, Aram Kostanyan, Thomas Greber, Anja U. B. Wolter, Manuel Richter, Bernd Büchner, Stanislav M. Avdoshenko, Alexey A. Popov
Air-stable redox-active nanomagnets with lanthanide spins radical-bridged by a metal–metal bond
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-019-08513-6
Nature Communications 10/1 2019-11-22
2018 Stanislav M. Avdoshenko
Fullerene faraday cage keeps magnetic properties of inner cluster pristine
published pages: 1594-1598, ISSN: 0192-8651, DOI: 10.1002/jcc.25231
Journal of Computational Chemistry 39/21 2019-11-22
2018 C.-H. Chen, D. S. Krylov, S. M. Avdoshenko, F. Liu, L. Spree, R. Westerström, C. Bulbucan, M. Studniarek, J. Dreiser, A. U. B. Wolter, B. Büchner, A. A. Popov
Magnetic hysteresis in self-assembled monolayers of Dy-fullerene single molecule magnets on gold
published pages: 11287-11292, ISSN: 2040-3364, DOI: 10.1039/c8nr00511g
Nanoscale 10/24 2019-11-22
2019 Vasilii Dubrovin, Alexey A. Popov, Stanislav Avdoshenko
Magnetism in Ln molecular systems with 4f/valence-shell interplay (FV-magnetism)
published pages: , ISSN: 1359-7345, DOI: 10.1039/c9cc06913e
Chemical Communications 2019-11-22
2018 D. S. Krylov, F. Liu, A. Brandenburg, L. Spree, V. Bon, S. Kaskel, A. U. B. Wolter, B. Büchner, S. M. Avdoshenko, A. A. Popov
Magnetization relaxation in the single-ion magnet DySc 2 N@C 80 : quantum tunneling, magnetic dilution, and unconventional temperature dependence
published pages: 11656-11672, ISSN: 1463-9076, DOI: 10.1039/c8cp01608a
Physical Chemistry Chemical Physics 20/17 2019-11-22
2019 Georgios Velkos, Denis S. Krylov, Kyle Kirkpatrick, Lukas Spree, Vasilii Dubrovin, Bernd Büchner, Stanislav M. Avdoshenko, Valeriy Bezmelnitsyn, Sean Davis, Paul Faust, James Duchamp, Harry C. Dorn, Alexey A. Popov
High Blocking Temperature of Magnetization and Giant Coercivity in the Azafullerene Tb 2 @C 79 N with a Single-Electron Terbium-Terbium Bond
published pages: 5891-5896, ISSN: 1433-7851, DOI: 10.1002/anie.201900943
Angewandte Chemie International Edition 58/18 2019-11-22
2019 Wei Yang, Georgios Velkos, Fupin Liu, Svetlana M. Sudarkova, Yaofeng Wang, Jiaxin Zhuang, Hanning Zhang, Xiang Li, Xingxing Zhang, Bernd Büchner, Stanislav M. Avdoshenko, Alexey A. Popov, Ning Chen
Single Molecule Magnetism with Strong Magnetic Anisotropy and Enhanced Dy∙∙∙Dy Coupling in Three Isomers of Dy‐Oxide Clusterfullerene Dy 2 O@C 82
published pages: 1901352, ISSN: 2198-3844, DOI: 10.1002/advs.201901352
Advanced Science 6/20 2019-11-22
2018 Stanislav M. Avdoshenko, Fabian Fritz, Christin Schlesier, Aram Kostanyan, Jan Dreiser, Martina Luysberg, Alexey A. Popov, Carola Meyer, Rasmus Westerström
Partial magnetic ordering in one-dimensional arrays of endofullerene single-molecule magnet peapods
published pages: 18153-18160, ISSN: 2040-3364, DOI: 10.1039/c8nr05386c
Nanoscale 10/38 2019-11-22
2019 Fupin Liu, Lukas Spree, Denis S. Krylov, Georgios Velkos, Stanislav M. Avdoshenko, Alexey A. Popov
Single-Electron Lanthanide-Lanthanide Bonds Inside Fullerenes toward Robust Redox-Active Molecular Magnets
published pages: 2981-2993, ISSN: 0001-4842, DOI: 10.1021/acs.accounts.9b00373
Accounts of Chemical Research 52/10 2019-11-22
2019 Vasilii Dubrovin, Li-Hua Gan, Bernd Büchner, Alexey A. Popov, Stanislav M. Avdoshenko
Endohedral metal-nitride cluster ordering in metallofullerene–Ni II (OEP) complexes and crystals: a theoretical study
published pages: 8197-8200, ISSN: 1463-9076, DOI: 10.1039/c9cp00634f
Physical Chemistry Chemical Physics 21/16 2019-11-22
2019 C. Schlesier, F. Liu, V. Dubrovin, L. Spree, B. Büchner, S. M. Avdoshenko, A. A. Popov
Mixed dysprosium-lanthanide nitride clusterfullerenes DyM 2 N@C 80 - I h and Dy 2 MN@C 80 - I h (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom
published pages: 13139-13153, ISSN: 2040-3364, DOI: 10.1039/c9nr03593a
Nanoscale 11/27 2019-11-22

Are you the coordinator (or a participant) of this project? Plaese send me more information about the "SAMSD" project.

For instance: the website url (it has not provided by EU-opendata yet), the logo, a more detailed description of the project (in plain text as a rtf file or a word file), some pictures (as picture files, not embedded into any word file), twitter account, linkedin page, etc.

Send me an  email ( and I put them in your project's page as son as possible.

Thanks. And then put a link of this page into your project's website.

The information about "SAMSD" are provided by the European Opendata Portal: CORDIS opendata.

More projects from the same programme (H2020-EU.1.3.2.)

DiMaS (2019)

Retrospective genomic analyses of shortfin Mako shark (Isurus oxyrinchus) using DNA from archived jaws

Read More  

MathematicsAnalogies (2019)

Mathematics Analogies

Read More  

NaWaTL (2020)

Narrative, Writing, and the Teotihuacan Language: Exploring Language History Through Phylogenetics, Epigraphy and Iconography

Read More