Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

Author:

Belviso Florian1,Claerbout Victor E. P.1,Comas-Vives Aleix2ORCID,Dalal Naresh S.34ORCID,Fan Feng-Ren5,Filippetti Alessio6ORCID,Fiorentini Vincenzo6,Foppa Lucas7,Franchini Cesare89ORCID,Geisler Benjamin10,Ghiringhelli Luca M.11ORCID,Groß Axel1213ORCID,Hu Shunbo14ORCID,Íñiguez Jorge1516,Kauwe Steven Kaai17,Musfeldt Janice L.18ORCID,Nicolini Paolo1ORCID,Pentcheva Rossitza10ORCID,Polcar Tomas1,Ren Wei14ORCID,Ricci Fabio19,Ricci Francesco20ORCID,Sen Huseyin Sener1,Skelton Jonathan Michael21,Sparks Taylor D.17,Stroppa Alessandro22,Urru Andrea6ORCID,Vandichel Matthias2324,Vavassori Paolo2526ORCID,Wu Hua527,Yang Ke5,Zhao Hong Jian1528,Puggioni Danilo29ORCID,Cortese Remedios30ORCID,Cammarata Antonio1ORCID

Affiliation:

1. Department of Control Engineering, Czech Technical University in Prague, Technicka 2, 16627 Prague 6, Czech Republic

2. Department of Chemistry, Universitat Autònoma de Barcelona, 08193 Cerdanyola del Vallès, Catalonia, Spain

3. National High Magnet Field Lab, Tallahassee, Florida 32310, United States

4. Department of Chemistry & Biochemistry, Florida State University, Tallahassee, Florida 32306, United States

5. Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China

6. Department of Physics at University of Cagliari, and CNR-IOM, UOS Cagliari, Cittadella Universitaria, I-09042 Monserrato (CA), Italy

7. Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 1-5, CH-8093 Zürich, Switzerland

8. Faculty of Physics and Center for Computational Materials Science, University of Vienna, Sensengasse 8, A-1090 Vienna, Austria

9. Dipartimento di Fisica e Astronomia, Università di Bologna, Bologna 40127, Italy

10. Department of Physics and Center for Nanointegration (CENIDE), Universität Duisburg-Essen, Lotharstr. 1, Duisburg 47057, Germany

11. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin-Dahlem 14195, Germany

12. Electrochemical Energy Storage, Helmholtz Institut Ulm, Ulm 89069, Germany

13. Institute of Theoretical Chemistry, Ulm University, Ulm 89069, Germany

14. Department of Physics, Materials Genome Institute, and International Center of Quantum and Molecular Structures, Shanghai University, 99 Shangda Road, Shanghai 200444, China

15. Materials Research and Technology Department, Luxembourg Institute of Science and Technology, Avenue des Hauts-Fourneaux 5, L-4362 Esch/Alzette, Luxembourg

16. Physics and Materials Research Unit, University of Luxembourg, Rue du Brill 41, Belvaux L-4422, Luxembourg

17. Materials Science & Engineering Department, University of Utah, 122 Central Campus Drive, Salt Lake City, Utah 84112, United States

18. Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, United States

19. Physique Theorique des Materiaux, Universite de Liege, Sart-Tilman B-4000, Belgium

20. Institute of Condensed Matter and Nanosciences, Universite Catholique de Louvain, Chemin des Etoiles 8, Louvain-la-Neuve B-1348, Belgium

21. Department of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, United Kingdom

22. CNR-SPIN, Department of Physical Sciences and Chemistry, Universita degli Studi dell’Aquila, Via Vetoio, Coppito (AQ) 67010, Italy

23. Department of Chemical Sciences and Bernal Institute, Limerick University, Limerick, Ireland

24. Department of Chemistry and Material Science and Department of Applied Physics, Aalto University, Espoo 02150, Finland

25. CIC nanoGUNE, San Sebastian E-20018, Spain

26. IKERBASQUE, Basque Foundation for Science, Bilbao 48013, Spain

27. Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, China

28. Physics Department and Institute for Engineering, University of Arkansas, Fayetteville, Arkansas 72701,United States

29. Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208, United States

30. Department of Physics and Chemistry, Università degli Studi di Palermo, Viale delle Scienze ed. 17, Palermo 90128, Italy

Funder

ETH Z??rich Foundation

European Commission

Department of Science and Technology, Ministry of Science and Technology

National Science Foundation

Research Councils UK

University of Manchester

Austrian Science Fund

Ministerio de Econom??a y Competitividad

Grantov?? Agentura Cesk?? Republiky

Deutsche Forschungsgemeinschaft

Shanghai Municipal Education Commission

Universit?? di Cagliari

Fondazione di Sardegna 2017

Italian Ministry of University and Research

Berlin Big-Data Center

CINECA

Ministry of Education, Youth and Sports Czech Republic

UK Engineering and Physical Sciences Research Council

Fondazione di Sardegna

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Reference463 articles.

1. Rogers, C.; Barker, D.; Jaeger, C. Introduction to Smart Materials and Structures, Proceedings of U.S. Army Research Office Workshop on Smart Materials, Structures and Mathematical Issues; Rogers, C. A., Ed.; Virginia Polytechnic Institute & State University. Technomic Publishing Co., Inc., September 15−16, 2016; pp 17−28.

2. Inhomogeneous Electron Gas

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. Electron correlations in narrow energy bands

5. Hybrid functionals based on a screened Coulomb potential

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