Publications since 2005 of people currently working at ICCOM Pisa

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C

Negreiros FR, Sementa L, Barcaro G, Vajda S, Aprá E, Fortunelli A. CO oxidation by subnanometer Ag xAu 3- x supported clusters via density functional theory simulations. ACS Catalysis [Internet]. 2012;2:1860–1864. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84866109694&partnerID=40&md5=97712e71fa2c3fe39582c98c2aee5904 Abstract

Asgari M, Negreiros FR, Sementa L, Barcaro G, Behnejad H, Fortunelli A. Communication: Striking dependence of diffusion kinetics in Ag-Cu nanoalloys upon composition and quantum effects. Journal of Chemical Physics [Internet]. 2014;141. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84905638844&partnerID=40&md5=6e3bcdb0e2e7d277ba71d3a10958b3e1 Abstract

Negreiros FR, Barcaro G, Sementa L, Fortunelli A. Concepts in theoretical heterogeneous ultrananocatalysis. Comptes Rendus Chimie [Internet]. 2014;17:625–633. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84903781702&partnerID=40&md5=05cd0c4d5c866dd92f83c0afeebd0bc0 Abstract

D

Bruma A, Negreiros FR, Xie S, Tsukuda T, Johnston RL, Fortunelli A, Li ZY. Direct atomic imaging and density functional theory study of the Au 24Pd1 cluster catalyst. Nanoscale [Internet]. 2013;5:9620–9625. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84884892566&partnerID=40&md5=06094872f95c72b0c5ff9e5e573cd1e7 Abstract

E

Sementa L, Marini A, Barcaro G, Negreiros FR, Fortunelli A. Electronic excited states at ultrathin dielectric-metal interfaces. PHYSICAL REVIEW B. 2013;88:125413.

F

Negreiros FR, Aprà E, Barcaro G, Sementa L, Vajda S, Fortunelli A. A first-principles theoretical approach to heterogeneous nanocatalysis. Nanoscale [Internet]. 2012;4:1208–1219. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84857200919&partnerID=40&md5=2c691ad1367f5574d372f906462119fa Abstract

I

Barcaro G, Sementa L, Negreiros FR, Fortunelli A. Influence of temperature and H2 adsorption on the structure of silica-supported gold subnanometer clusters. COMPUTATIONAL AND THEORETICAL CHEMISTRY. 2013;1021:222–228.

K

Negreiros FR, Taherkhani F, Parsafar G, Caro A, Fortunelli A. Kinetics of chemical ordering in a Ag-Pt nanoalloy particle via first-principles simulations. JOURNAL OF CHEMICAL PHYSICS. 2012;137:194302.

M

Denk M, Kuhness D, Wagner M, Surnev S, Negreiros FR, Sementa L, Barcaro G, Vobornik I, Fortunelli A, Netzer FP. Metal tungstates at the ultimate two-dimensional limit: Fabrication of a CuWO4 nanophase. ACS Nano [Internet]. 2014;8:3947–3954. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84899430313&partnerID=40&md5=b8cd181475cdea2d314553133c06c328 Abstract

N

Wagner M, Negreiros FR, Sementa L, Barcaro G, Surnev S, Fortunelli A, Netzer FP. Nanostripe Pattern of NaCl Layers on Cu(110). PHYSICAL REVIEW LETTERS. 2013;110:216101.

R

Bazin D, Fechete I, Garin FC, Barcaro G, Negreiros FR, Sementa L, Fortunelli A. Reactivity and catalysis by nanoalloys. In: Nanoalloys. Nanoalloys. Laboratoire de Physique des Solides, Université Paris-Sud (XI), France; 2013. p. 283–344. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84882812663&partnerID=40&md5=d5f590959d1f9bea48212ed395112b34

Steurer W, Surnev S, Netzer FP, Sementa L, Negreiros FR, Barcaro G, Durante N, Fortunelli A. Redox processes at a nanostructured interface under strong electric fields. Nanoscale [Internet]. 2014;6:10589–10595. Available from: http://www.scopus.com/inward/record.url?eid=2-s2.0-84906569145&partnerID=40&md5=977594e563d0c17b5e7751e60649075f Abstract