Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems

Author:

Sánchez Pedro A.12345ORCID,Vögele Martin6789ORCID,Smiatek Jens10111213ORCID,Qiao Baofu14159ORCID,Sega Marcello16171813ORCID,Holm Christian10111213ORCID

Affiliation:

1. Ural Federal University

2. Ekaterinburg

3. Russian Federation

4. Institute of Ion Beam Physics and Materials Research

5. Helmholtz-Zentrum Dresden-Rossendorf e.V.

6. Department of Computer Science

7. Stanford University

8. California

9. USA

10. Institut für Computerphysik

11. Universität Stuttgart

12. 70569 Stuttgart

13. Germany

14. Chemical Sciences and Engineering Division

15. Argonne National Laboratory

16. Forschungszentrum Jülich

17. Helmholtz Institute Erlangen-Nuremberg

18. Nuremberg

Abstract

By employing large-scale molecular dynamics simulations of atomistically resolved oligoelectrolytes in aqueous solutions, we study in detail the first four layer-by-layer deposition cycles of a PDADMAC/PSS oligoelectrolyte multilayer.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

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