Authors: Khakbaz, P., Driussi, F., Giannozzi, P., Gambi, A., Lizzit, D., Esseni, D.
Contributors: Khakbaz, P., Driussi, F., Giannozzi, P., Gambi, A., Lizzit, D., Esseni, D.
Subject Terms: MoS2, 2D materials, Density functional theory, Contacts, Buffer Layer, Fermi level pinning, Schottky barrier height
File Description: ELETTRONICO
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000800388900009; volume:194; firstpage:108378; numberofpages:7; journal:SOLID-STATE ELECTRONICS; info:eu-repo/grantAgreement/EC/H2020/824143; http://hdl.handle.net/11390/1224870; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85129564500
Authors: Sabatelli F., Segato J., Belpassi L., Del Zotto A., Zuccaccia D., Belanzoni P.
Contributors: Sabatelli, F., Segato, J., Belpassi, L., Del Zotto, A., Zuccaccia, D., Belanzoni, P.
Subject Terms: Alkyne hydration, Catalyst design, Coordination ability, Density functional theory, Gold(III) complexe, Pre-equilibrium
Relation: volume:26; issue:9; firstpage:2445; numberofpages:13; journal:MOLECULES; http://hdl.handle.net/11390/1207403; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85105188211
Authors: Hosseini M., Vanpoucke D. E. P., Giannozzi P., Berahman M., Hadipour N.
Contributors: Hosseini, M., Vanpoucke, D. E. P., Giannozzi, P., Berahman, M., Hadipour, N.
Subject Terms: Metal-organic frameworks, electronic structure, density-functional theory
File Description: ELETTRONICO
Relation: volume:10; issue:8; firstpage:4786; lastpage:4794; numberofpages:9; journal:RSC ADVANCES; info:eu-repo/grantAgreement/EC/H2020/824143; http://hdl.handle.net/11390/1175283; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85079033029; http://pubs.rsc.org/en/journals/journal/ra
Authors: Mahatha S. K., Ngankeu A. S., Hinsche N. F., Mertig I., Guilloy K., Matzen P. L., Bianchi M., Sanders C. E., Miwa J. A., Bana H., Travaglia E., Lacovig P., Bignardi L., Lizzit D., Larciprete R., Baraldi A., Lizzit S., Hofmann P.
Contributors: Mahatha, S. K., Ngankeu, A. S., Hinsche, N. F., Mertig, I., Guilloy, K., Matzen, P. L., Bianchi, M., Sanders, C. E., Miwa, J. A., Bana, H., Travaglia, E., Lacovig, P., Bignardi, L., Lizzit, D., Larciprete, R., Baraldi, A., Lizzit, S., Hofmann, P.
Subject Terms: Angle-resolved photoemission spectroscopy, Density functional theory, Electron-phonon coupling, Transition metal dichalcogenides
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000460496100011; volume:681; firstpage:64; lastpage:69; numberofpages:6; journal:SURFACE SCIENCE; info:eu-repo/grantAgreement/EC/H2020/713683, 609405; http://hdl.handle.net/11390/1191767; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85057319967; https://www.sciencedirect.com/science/article/pii/S0039602818308082
Authors: Ivan Carnimeo, Stefano Baroni, Paolo Giannozzi
Contributors: Carnimeo, Ivan, Baroni, Stefano, Giannozzi, Paolo
Subject Terms: density-functional theory, plane waves, exchange potential, hybrid functionals
File Description: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000604915700013; volume:1; issue:1; firstpage:1; lastpage:10; numberofpages:10; journal:ELECTRONIC STRUCTURE; http://hdl.handle.net/11390/1144824; https://doi.org/10.1088%2F2516-1075%2Faaf7d4
Contributors: Pala, M., Esseni, D.
Subject Terms: 2D material, Density functional theory, NEGF, Quantum transport
Relation: info:eu-repo/semantics/altIdentifier/isbn/978-4-86348-763-5; ispartofbook:International Conference on Simulation of Semiconductor Processes and Devices, SISPAD; 2020 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2020; volume:2020-; firstpage:63; lastpage:66; numberofpages:4; http://hdl.handle.net/11390/1194559; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85096244006
Authors: Rau, Martin, Markussen, Troels, Gnani, Elena, Gnudi, Antonio, Khomyakov, Petr A., Luisier, Mathieu, Reggiani, Susanna, Schenk, Andreas, Stokbro, Kurt, CARUSO, Enrico, ESSENI, David, OSGNACH, Patrik, PALESTRI, Pierpaolo, SELMI, Luca
Contributors: Rau, Martin, Markussen, Troel, Caruso, Enrico, Esseni, David, Gnani, Elena, Gnudi, Antonio, Khomyakov, Petr A., Luisier, Mathieu, Osgnach, Patrik, Palestri, Pierpaolo, Reggiani, Susanna, Schenk, Andrea, Selmi, Luca, Stokbro, Kurt
Subject Terms: III-V semiconductor, strain engineering, Density Functional Theory, Tight-binding, k·p, Ultra-Thin Body MOSFET, band structure, top-of-the-barrier model
File Description: ELETTRONICO
Relation: info:eu-repo/semantics/altIdentifier/isbn/978-1-5090-2969-3; info:eu-repo/semantics/altIdentifier/wos/WOS:000386655900043; ispartofbook:European Solid-State Device Research Conference; European Solid-State Device Research Conference (ESSDERC); firstpage:184; lastpage:187; numberofpages:4; info:eu-repo/grantAgreement/EC/FP7/619326; http://hdl.handle.net/11390/1108639; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84994477632
Authors: Gaggioli, Carlo Alberto, Ciancaleoni, Gianluca, Bistoni, Giovanni, Belpassi, Leonardo, Tarantelli, Francesco, Belanzoni, Paola, ZUCCACCIA, Daniele
Contributors: Gaggioli, Carlo Alberto, Ciancaleoni, Gianluca, Zuccaccia, Daniele, Bistoni, Giovanni, Belpassi, Leonardo, Tarantelli, Francesco, Belanzoni, Paola
Subject Terms: Cyclization, Density functional theory, Electron, Gold, Gold compound, Phosphorus compounds
File Description: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000379704300013; volume:35; issue:13; firstpage:2275; lastpage:2285; numberofpages:11; journal:ORGANOMETALLICS; http://hdl.handle.net/11390/1100966; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84978796223
Authors: Mattioli, G., Amore Bonapasta, A., Bovi, D., GIANNOZZI, Paolo
Contributors: Mattioli, G., Amore Bonapasta, A., Bovi, D., Giannozzi, Paolo
Subject Terms: Nanoparticle, Density-Functional Theory, TiO2 photocatalytic activity
File Description: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000347360200053; volume:118; issue:51; firstpage:29928; lastpage:29942; numberofpages:15; journal:JOURNAL OF PHYSICAL CHEMISTRY. C; http://hdl.handle.net/11390/1024356; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84949115402
Authors: G. Mattioli, C. Melis, G. Malloci, F. Filippone, P. Alippi, A. Mattoni, A. Amore Bonapasta, GIANNOZZI, Paolo
Contributors: G., Mattioli, C., Meli, G., Malloci, F., Filippone, P., Alippi, Giannozzi, Paolo, A., Mattoni, A., Amore Bonapasta
Subject Terms: Hybrid Photovoltaic Cell, Zinc Phthalocyanine/Zinc Oxide Interface, Density-Functional Theory
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000306725200031; volume:116; firstpage:15439; lastpage:15448; numberofpages:10; journal:JOURNAL OF PHYSICAL CHEMISTRY. C; http://hdl.handle.net/11390/872395; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84864225913
Authors: ZUCCACCIA, Daniele, L. Belpassi, F. Tarantelli, A. Macchioni
Contributors: Zuccaccia, Daniele, L., Belpassi, F., Tarantelli, A., Macchioni
Subject Terms: Ancillary ligands, Counterions, Density functional theory calculations, Imidazol-2-ylidene, Ion pairing, NHC ligands, NMR spectroscopy, Positive charges, Relative anions, Relativistic effects
File Description: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000264792400025; volume:131; firstpage:3170; lastpage:3171; numberofpages:2; journal:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; http://hdl.handle.net/11390/949791; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-67749139799
Authors: SCANDOLO S, CAVAZZONI C, DE GIRONCOLI S, PASQUARELLO A, BARONI S., GIANNOZZI, Paolo
Contributors: Scandolo, S, Giannozzi, Paolo, Cavazzoni, C, DE GIRONCOLI, S, Pasquarello, A, Baroni, S.
Subject Terms: Density-Functional Theory, electronic structure, First-principle calculations
File Description: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000229779300017; volume:220; firstpage:574; lastpage:579; numberofpages:6; journal:ZEITSCHRIFT FUR KRISTALLOGRAPHIE; http://hdl.handle.net/11390/848971; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-20144375330