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

Florian Belviso; Victor E.P. Claerbout; Aleix Comas-Vives; Naresh S. Dalal; Feng Ren Fan; Alessio Filippetti; Vincenzo Fiorentini; Lucas Foppa; Cesare Franchini; Benjamin Geisler; Luca M. Ghiringhelli; Axel Groß; Shunbo Hu; Jorge Íñiguez; Steven Kaai Kauwe; Janice L. Musfeldt; Paolo Nicolini; Rossitza Pentcheva; Tomas Polcar; Wei Ren; Fabio Ricci; Francesco Ricci; Huseyin Sener Sen; Jonathan Michael Skelton; Taylor D. Sparks; Alessandro Stroppa; Andrea Urru; Matthias Vandichel; Paolo Vavassori; Hua Wu; Ke Yang; Hong Jian Zhao; Danilo Puggioni; Remedios Cortese; Antonio Cammarata

doi:10.1021/acs.inorgchem.9b01785

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

Florian Belviso, Victor E.P. Claerbout, Aleix Comas-Vives, Naresh S. Dalal, Feng Ren Fan, Alessio Filippetti, Vincenzo Fiorentini, Lucas Foppa, Cesare Franchini, Benjamin Geisler, Luca M. Ghiringhelli, Axel Groß, Shunbo Hu, Jorge Íñiguez, Steven Kaai Kauwe, Janice L. Musfeldt, Paolo Nicolini, Rossitza Pentcheva, Tomas Polcar, Wei RenFabio Ricci, Francesco Ricci, Huseyin Sener Sen, Jonathan Michael Skelton, Taylor D. Sparks, Alessandro Stroppa, Andrea Urru, Matthias Vandichel, Paolo Vavassori, Hua Wu, Ke Yang, Hong Jian Zhao, Danilo Puggioni (Korresp. Autor*in), Remedios Cortese (Korresp. Autor*in), Antonio Cammarata (Korresp. Autor*in)

Computergestützte Materialphysik

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Seiten (von - bis)	14939-14980
Seitenumfang	42
Fachzeitschrift	Inorganic Chemistry
Jahrgang	58
Ausgabenummer	22
DOIs	https://doi.org/10.1021/acs.inorgchem.9b01785
Publikationsstatus	Veröffentlicht - 18 Nov. 2019

ÖFOS 2012

104003 Anorganische Chemie
210004 Nanomaterialien

Zugriff auf Dokument

10.1021/acs.inorgchem.9b01785

Andere Dateien und Links

http://www.scopus.com/inward/record.url?scp=85074940021&partnerID=8YFLogxK

Elektronenkorrelation und Spin-Bahn-Kopplung in 4d und 5d Übergansmetalloxide
Franchini, C.
1/04/14 → 31/03/18
Projekt: Forschungsförderung
ViCoM II: Vienna Computational Materials Laboratory
Süss, D., Kresse, G., Held, K., Verstraete, F., Burgdorfer, J., Mauser, N., Blaha, P., Mohn, P., Podloucky, R., Dellago, C. & Resch, A.
1/06/10 → 30/06/19
Projekt: Forschungsförderung

Zitationsweisen

Belviso, F., Claerbout, V. E. P., Comas-Vives, A., Dalal, N. S., Fan, F. R., Filippetti, A., Fiorentini, V., Foppa, L., Franchini, C., Geisler, B., Ghiringhelli, L. M., Groß, A., Hu, S., Íñiguez, J., Kauwe, S. K., Musfeldt, J. L., Nicolini, P., Pentcheva, R., Polcar, T., ... Cammarata, A. (2019). Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications. Inorganic Chemistry, 58(22), 14939-14980. https://doi.org/10.1021/acs.inorgchem.9b01785

@article{374c198bf59b4efb9400dc8fbc01efe1,

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

keywords = "DENSITY-FUNCTIONAL THEORY, PEROVSKITE SOLAR-CELLS, AB-INITIO CALCULATION, WATER-GAS SHIFT, MECHANICAL-PROPERTIES, CO OXIDATION, TRIBOELECTRIC NANOGENERATORS, FERROELECTRIC POLARIZATION, MICROSTRUCTURE EVOLUTION, PLATINUM(II) COMPLEXES",

author = "Florian Belviso and Claerbout, {Victor E.P.} and Aleix Comas-Vives and Dalal, {Naresh S.} and Fan, {Feng Ren} and Alessio Filippetti and Vincenzo Fiorentini and Lucas Foppa and Cesare Franchini and Benjamin Geisler and Ghiringhelli, {Luca M.} and Axel Gro{\ss} and Shunbo Hu and Jorge {\'I}{\~n}iguez and Kauwe, {Steven Kaai} and Musfeldt, {Janice L.} and Paolo Nicolini and Rossitza Pentcheva and Tomas Polcar and Wei Ren and Fabio Ricci and Francesco Ricci and Sen, {Huseyin Sener} and Skelton, {Jonathan Michael} and Sparks, {Taylor D.} and Alessandro Stroppa and Andrea Urru and Matthias Vandichel and Paolo Vavassori and Hua Wu and Ke Yang and Zhao, {Hong Jian} and Danilo Puggioni and Remedios Cortese and Antonio Cammarata",

year = "2019",

month = nov,

day = "18",

doi = "10.1021/acs.inorgchem.9b01785",

language = "English",

volume = "58",

pages = "14939--14980",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "AMER CHEMICAL SOC",

number = "22",

}

Belviso, F, Claerbout, VEP, Comas-Vives, A, Dalal, NS, Fan, FR, Filippetti, A, Fiorentini, V, Foppa, L, Franchini, C, Geisler, B, Ghiringhelli, LM, Groß, A, Hu, S, Íñiguez, J, Kauwe, SK, Musfeldt, JL, Nicolini, P, Pentcheva, R, Polcar, T, Ren, W, Ricci, F, Ricci, F, Sen, HS, Skelton, JM, Sparks, TD, Stroppa, A, Urru, A, Vandichel, M, Vavassori, P, Wu, H, Yang, K, Zhao, HJ, Puggioni, D, Cortese, R & Cammarata, A 2019, 'Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications', Inorganic Chemistry, Jg. 58, Nr. 22, S. 14939-14980. https://doi.org/10.1021/acs.inorgchem.9b01785

TY - JOUR

T1 - Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

AU - Belviso, Florian

AU - Claerbout, Victor E.P.

AU - Comas-Vives, Aleix

AU - Dalal, Naresh S.

AU - Fan, Feng Ren

AU - Filippetti, Alessio

AU - Fiorentini, Vincenzo

AU - Foppa, Lucas

AU - Franchini, Cesare

AU - Geisler, Benjamin

AU - Ghiringhelli, Luca M.

AU - Groß, Axel

AU - Hu, Shunbo

AU - Íñiguez, Jorge

AU - Kauwe, Steven Kaai

AU - Musfeldt, Janice L.

AU - Nicolini, Paolo

AU - Pentcheva, Rossitza

AU - Polcar, Tomas

AU - Ren, Wei

AU - Ricci, Fabio

AU - Ricci, Francesco

AU - Sen, Huseyin Sener

AU - Skelton, Jonathan Michael

AU - Sparks, Taylor D.

AU - Stroppa, Alessandro

AU - Urru, Andrea

AU - Vandichel, Matthias

AU - Vavassori, Paolo

AU - Wu, Hua

AU - Yang, Ke

AU - Zhao, Hong Jian

AU - Puggioni, Danilo

AU - Cortese, Remedios

AU - Cammarata, Antonio

PY - 2019/11/18

Y1 - 2019/11/18

KW - DENSITY-FUNCTIONAL THEORY

KW - PEROVSKITE SOLAR-CELLS

KW - AB-INITIO CALCULATION

KW - WATER-GAS SHIFT

KW - MECHANICAL-PROPERTIES

KW - CO OXIDATION

KW - TRIBOELECTRIC NANOGENERATORS

KW - FERROELECTRIC POLARIZATION

KW - MICROSTRUCTURE EVOLUTION

KW - PLATINUM(II) COMPLEXES

UR - http://www.scopus.com/inward/record.url?scp=85074940021&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.9b01785

DO - 10.1021/acs.inorgchem.9b01785

M3 - Article

C2 - 31668070

AN - SCOPUS:85074940021

SN - 0020-1669

VL - 58

SP - 14939

EP - 14980

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 22

ER -

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

ÖFOS 2012

Zugriff auf Dokument

Andere Dateien und Links

Fingerprint

Projekte

Elektronenkorrelation und Spin-Bahn-Kopplung in 4d und 5d Übergansmetalloxide

ViCoM II: Vienna Computational Materials Laboratory

Zitationsweisen