Maria Peressi

List of publications (updated: May 2017) :

Scientific papers in international Journals and Books:

1.

M. Peressi and A. Baldereschi, Atomic-scale structure of alkali halide solid solutions, Solid State Commun. 63, 91 (1987), DOI 10.1016/0038-1098(87)91172-0


2.

S. Baroni, R. Resta, A. Baldereschi, and M. Peressi Can We Tune the Band Offset at Semiconductor Heterojunctions?, in Spectroscopy of Semiconductor Microstructures edited by G. Fasol, A. Fasolino, and P. Lugli, NATO ASI ser. B, no 206 (Plenum, New York, 1989), p. 251.


3.

M. Peressi, S. Baroni, A. Baldereschi, and R. Resta, Valence-Band Offset at Lattice-Matched Heterojunctions, Helv. Phys. Acta 62, 862 (1989).


4.

M. Peressi, S. Baroni, A. Baldereschi, and R. Resta, Valence-Band Offset at Lattice-Matched Heterojunctions, Il Vuoto, Vol. XIX, 3, 172 (1989).


5.

M. Peressi, S. Baroni, A. Baldereschi, and R. Resta, Electronic Structure of InP/GaInAs Interfaces, Phys. Rev. B, 41, 12106 (1990), DOI 10.1103/PhysRevB.41.12106


6.

M. Peressi, S. Baroni, R. Resta and A. Baldereschi, Intralayer induced band discontinuities at semiconductor heterojunctions and homojunctions, Il Vuoto, Vol. XX, 4, 643 (1990).


7.

M. Peressi, S. Baroni, R. Resta, and A. Baldereschi, Tuning band offsets at semiconductor interfaces by intralayer deposition, Phys. Rev. B (RC), 43, 7347 (1991), DOI 10.1103/PhysRevB.43.7347


8.

A. Baldereschi, M. Peressi, S. Baroni, and R. Resta, Semiconductor Interfaces, in Proceedings of the International School of Physics ``Enrico Fermi'', Course CXVII, Semiconductor Superlattices and Interfaces, edited by L. Miglio and A. Stella (Academic, New York, 1991), p. 59.


9.

G. Biasol, L. Sorba, G. Bratina, R. Nicolini, A. Franciosi, M. Peressi, S. Baroni, R. Resta, and A. Baldereschi, Microscopic Capacitors and Neutral Interfaces in III-V/IV/III-V Semiconductor Heterostructures, Phys. Rev. Lett. 69, 1283 (1992), DOI 10.1103/PhysRevLett.69.1283


10.

S. Baroni, M. Peressi, R. Resta and A. Baldereschi, Theory of Band Offsets at Semiconductor Heterojunctions, in Proceedings of the 21 International Conference on the Physics of Semiconductors, edited by Ping Jiang and Hou-Zhi Zheng (World Scientific, Singapore, 1993), p. 689 .


11.

A. Baldereschi, R. Resta, M. Peressi, S. Baroni, and K. Mäder, Engineering of Semiconductor Heterostructures by Ultrathin Control Layers, in Proceedings of the NATO Advanced Research Workshop on ``The Physical Properties of Semiconductor Interfaces at the Sub-Nanometer Scale'', edited by H.W.M. Salemink and M.D. Pashley NATO ASI ser. E, no 243 (Kluwer Academic Publishers, Dordrecht, 1993).


12.

A. Baldereschi and M. Peressi, Atomic-scale Structure of Ionic and Semiconducting Solid Solutions, Journal of Physics: Condens. Matter 5 (1993), B37, DOI 10.1088/0953-8984/5/34B/007


13.

M. Peressi, L. Colombo, A. Baldereschi, R. Resta, and S. Baroni, Band Offsets Engineering at Semiconductor Heterojunctions, in Proceedings of the International Symposium on Physical Concepts and Materials for Novel Optoelectronic Devices Applications II, SPIE Vol. 1985, p. 84.


14.

M. Peressi, L. Colombo, R. Resta, S. Baroni, and A. Baldereschi, Structural and Electronic Properties of Strained Si/GaAs Heterostructures, Phys. Rev. B 48, 12047 (1993), DOI 10.1103/PhysRevB.48.12047


15.

N. Tit, M. Peressi, and S. Baroni, Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions, Phys. Rev. B 48, 17607 (1993), DOI 10.1103/PhysRevB.48.17607


16.

R. Nicolini, L. Vanzetti, Guido Mula, G. Bratina, L. Sorba, A. Franciosi, M. Peressi, S. Baroni, R. Resta, A. Baldereschi, J.E. Angelo, and W.W. Gerberich, Local Interface Composition and Band Discontinuities in Heterovalent Heterostructures, Phys. Rev. Lett. 72, 294 (1994), DOI 10.1103/PhysRevLett.72.294


17.

M. Peressi and S. Baroni, Bulk and Interfacial Strain in Si/Ge heterostructures, Phys. Rev. B 49, 7490 (1994), DOI 10.1103/PhysRevB.49.7490


18.

G. Bratina, L. Vanzetti, L. Sorba, G. Biasiol, A. Franciosi, M. Peressi, and S. Baroni, Lack of Band Offset Transitivity for Semiconductor Heterojunctions with Polar Orientation: ZnSe-Ge(001), Ge-GaAs(001) and ZnSe-GaAs(001) Phys. Rev. B 50, 11723 (1994), DOI 10.1103/PhysRevB.50.11723


19.

N. Tit and M. Peressi, Electronic structure of GaAs with InAs (001) monolayer, Phys. Rev. B 52, 10776 (1995), DOI 10.1103/PhysRevB.52.10776


20.

N. Tit and M. Peressi, Role of the InAs monomolecular plane inserted in bulk GaAs, Mat. Sci. Engin. B 35, 386 (1995), DOI 10.1016/0921-5107(95)01334-2


21.

N. Tit and M. Peressi, Ab-initio electronic structure calculation of the InAs multiple quantum wells in bulk GaAs, Appl. Surf. Sci. 104/105, 656 (1996), DOI 10.1016/S0169-4332(96)00220-6


22.

M. E. Lazzouni, M. Peressi, and A. Baldereschi, Valence-band Offset at the Si/GaP (110) Interface, Appl. Phys. Lett. 68, 75 (1996), DOI 10.1063/1.116762


23.

M. Di Ventra, M. Peressi, and A. Baldereschi, Role of structural and chemical contributions to band offsets at strained-layer heterojunctions: the GaAs/GaP (001) case, in Proceedings of the XXIII International Conference on Physics and Chemistry of Surfaces and Interfaces (La Yolla, January 1996), J. Vac. Sci. Technol. B 14, 2936 (1996), DOI 10.1116/1.588937


24.

M. Di Ventra, M. Peressi, and A. Baldereschi, Chemical and structural contributions to the valence band offset at GaP/GaAs(001) heterojunction, Phys. Rev. B 54, 5691 (1996), DOI 10.1103/PhysRevB.54.5691


25.

M. Di Ventra, M. Peressi, and A. Baldereschi, Strain Dependence of Band Offsets at Lattice-Mismatched Interfaces, in Proceedings of the 23 International Conference on the Physics of Semiconductors, M. Scheffler and R. Zimmermann eds. (World Scientific, Singapore, 1996), 987.


26.

M. Peressi, B. Montanari, S. Baroni and E. Molinari, Role of interface composition and strain on the band offset at lattice-matched semiconductor heterojunctions: the case of the InAs/GaSb(001) interface, in Proceedings of the 23 International Conference on the Physics of Semiconductors, M. Scheffler and R. Zimmermann eds. (World Scientific, Singapore, 1996), 943.


27.

B. Montanari, M. Peressi, S. Baroni and E. Molinari, InAs/GaSb(001) valence-band offset: independence of interface composition and strain, Appl. Phys. Lett. 69, 3218 (1996), DOI 10.1063/1.118015


28.

M. Peressi, F. Favot, and A. Baldereschi, Electronic states at ZnSe/Ge interfaces: a theoretical study, in ``Advances in Computational Materials Science I'', Conference Proceedings Vol. 55, V. Fiorentini and F. Meloni eds. (SIF, Bologna 1997), p. 13.


29.

U. Tinivella, M. Peressi, and A. Baldereschi, Random pseudobinary ionic alloys: lattice energy and structural properties, J. Phys.: Condens. Matter 9, 11141 (1997), DOI 10.1088/0953-8984/9/50/015


30.

M. Fornari, M. Peressi, and A. Baldereschi, First-principles study of the electronic structure of a-Si and a-Si:H, in Science and Supercomputing at CINECA, Report 1997.


31.

M. Peressi and A. Baldereschi, Structural and electronic properties of Ga2Se3, J. Appl. Phys. 83, 3092 (1998), DOI 10.1063/1.367066


32.

M. Fornari, M. Peressi, and A. Baldereschi, Electronic properties of floating bonds in a-Si and a-Si:H, in ``Advances in Computational Materials Science II'', Conference Proceedings Vol. 61, V. Fiorentini and F. Meloni eds. (SIF, Bologna 1998), p. 79.


33.

M. Peressi, N. Binggeli, and A. Baldereschi, Band engineering at interfaces: theory and numerical experiments (invited review article), J. Phys. D: Appl. Phys. 31, 1273 (1998). DOI 10.1088/0022-3727/31/11/002


34.

L. De Maria, M. Peressi and S. Baroni, Towards a transferable parametrization for carbon in a periodic semiempirical molecular orbital scheme, Theor. Chem. Acc. (letter) 100, 303 (1998), DOI 10.1007/s002140050395


35.

M. Fornari, M. Peressi, S. de Gironcoli, and A. Baldereschi, Floating bonds and gap states in a-Si and a-Si:H from first principles calculations, Europhys. Lett. 47, 481 (1999), DOI 10.1209/epl/i1999-00413-7


36.

M. Peressi, M. Fornari, S. de Gironcoli, L. De Santis, and A. Baldereschi, Coordination defects in a-Si and a-Si:H : a characterization from first principles calculations, Phil. Mag. B 80, 515-521 (2000), DOI 10.1080/13642810008209759


37.

F. Bernardini, M. Peressi and V. Fiorentini, Band offsets and stability at BeTe/ZnSe (100) heterojunctions, Phys. Rev. B 62, R16302-R16305 (2000), DOI 10.1103/PhysRevB.62.R16302


38.

E. Pelucchi, S. Rubini, B. Bonanni, A. Franciosi and M. Peressi, Band discontinuities in ZnMgSe/ZnCdSe(001) lattice-matched heterostructures, Appl. Phys. Lett. 78, 1574-1576 (2001), DOI 10.1063/1.1350968


39.

M. Fornari, N. Marzari, M. Peressi and A. Baldereschi, Wannier-functions characterization of floating bonds in a-Si, preprint: cond-mat/9911485, Comp. Mat. Sci. 20 (3-4), 337-342 (2001), DOI 10.1016/S0927-0256(00)00191-9


40.

C. Sgiarovello, M. Peressi and R. Resta, Electron localization in the insulating state: Application to crystalline semiconductors, Phys. Rev. B 64, 115202-(1-10) (2001), DOI 10.1103/PhysRevB.64.115202


41.

M. Peressi, L. Colombo, S. de Gironcoli, Role of defects in the electronic properties of amorphous/crystalline Si interfaces, Phys. Rev. B 64, 193303-(1-4) (2001), DOI 10.1103/PhysRevB.64.193303


42.

A. Baldereschi, M. Peressi, F. Favot, and G. Cangiani, Effects of Atomic Interdiffusion on the Electronic Structure of ZnSe/Ge(110), in Electrons and Photons in Solids, Quaderni della Scuola Normale Superiore, Classe di Scienze (2001), p. 85-94.


43.

M. Peressi, L. Colombo, S. de Gironcoli, Atomic and electronic structure of a-Si/c-Si interface from combined semi-empirical and ab-initio methods, in Science and Supercomputing at CINECA, Report 2001, p. 572-577.


44.

M. Peressi, F. Favot, G. Cangiani, and A. Baldereschi, Interface states at ZnSe/Ge heterojunctions: the role of atomic interdiffusion and disorder, Appl. Phys. Lett. 81 (27), 5171-5173 (2002), DOI 10.1063/1.1532555


45.

A. Debernardi, M. Peressi, and A. Baldereschi, Electronic properties of Mn-compounds under strain, Comp. Mat. Sci. 27 (1-2), 175-180 (2003), DOI 10.1016/S0927-0256(02)00442-1


46.

A. Debernardi, M. Peressi, and A. Baldereschi, Structural and electronic properties of NiMnSb Heusler compound and its interface with GaAs, Mat. Sci Eng. C 23, 743-746 (2003), DOI 10.1016/j.msec.2003.09.074


47.

A. Debernardi, M. Peressi, and A. Baldereschi, Magnetic phase transition in strained MnAs compound, Mat. Sci Eng. C 23, 1059-1062 (2003), DOI 10.1016/j.msec.2003.09.155


48.

A. Baldereschi, M. Peressi, G. Cangiani, and F. Favot, ZnSe/Ge heterojunctions: structural and electronic properties, Progress in Condensed Matter Physics, Conference Proceedings della Società Italiana di Fisica, vol. 84 (2003), ed. G. Mondio and L. Silipigni, ISBN 88-7438-010-0, p. 1-10


49.

M. Peressi, M. Tosolini, and L. Colombo, Atomic-scale numerical model of c-Si/a-Si:H interfaces in Science and Supercomputing at CINECA, Report 2003, p. 446-449, DOI: 10.1388/SSC(2003)-PH-446


50.

A. Debernardi, M. Peressi, A. Baldereschi, S. Picozzi, A. Continenza, F. Antoniella, A. Stroppa and A. MoscaConte, Spintronic properties of Mn based semiconductor heterostructures in Science and Supercomputing at CINECA, Report 2003, p. 455-459, DOI: 10.1388/SSC(2003)-PH-455


51.

M. Tosolini, L. Colombo, and M. Peressi, Atomic-scale model of c-Si/a-Si:H interfaces, Phys. Rev. B 69, 075301-(1-7) (2004), DOI 10.1103/PhysRevB.69.075301


52.

E. Pelucchi, S. Rubini, B. Bonanni, A. Franciosi, A. Zaoui, M. Peressi, A. Baldereschi, D. De Salvador, A. Drigo, and F. Romanato, Structural and electronic properties of wide band gap Zn(1-x)Mg(x)Se alloys, J. Appl. Phys. 95 (8), 4184-4192 (2004), DOI 10.1063/1.1682688


53.

E. Vesselli, A. Baraldi, F. Bondino, G. Comelli, M. Peressi, and R. Rosei, Coverage-dependent hydrogen adsorption site determination on Rh(100) by means of high-resolution core-level Spectroscopy, Phys. Rev. B 70, 115404-(1-6) (2004), DOI 10.1103/PhysRevB.70.115404


54.

L. Zoppi, M. Peressi, M. Tosolini, Structural properties of free-standing (In,Ga)(As,N) Alloys , IEE Proc.-Optoelectronics 151, 263 (2004). (proc. with referee, E-MRS 2004 Spring Meeting, Strasbourg 2004), DOI 10.1049/ip-opt:20040891


55.

S. Picozzi, F. Antoniella, A. Continenza, A. MoscaConte, A. Debernardi, and M. Peressi, Stabilization of half metallicity in Mn-doped silicon upon Ge alloying, Phys. Rev. B 70, 165205-(1-8) (2004), DOI 10.1103/PhysRevB.70.165205


56.

M. Peressi, A. Debernardi, S. Picozzi, F. Antoniella, and A. Continenza, Half-metallic Mn-doped Si(x)Ge(1-x) alloys: a first principles study, Comp. Mat. Sci. 33 (1-3), 125-131 (2005), DOI 10.1016/j.commatsci.2004.12.029


57.

A. Stroppa and M. Peressi, Structural properties and stability of defected ZnSe/GaAs(001) interfaces, Comp. Mat. Sci. 33 (1-3), 256-262 (2005), DOI 10.1016/j.commatsci.2004.12.049


58.

A. Debernardi, and M. Peressi, A. Baldereschi, Spin polarization and band alignments at NiMnSb/GaAs interfaces , Comp. Mat. Sci. 33 (1-3), 263-268 (2005), DOI 10.1016/j.commatsci.2004.12.048


59.

A. Stroppa and M. Peressi, Composition and strain dependence of band offsets at metamorphic In(x)Ga(1-x)As/In(y)Al(1-y)As heterostructures , Phys. Rev. B 71, 205303-(1-10) (2005), DOI 10.1103/PhysRevB.71.205303


60.

M. Peressi, Electronic structure: Electronic properties of semiconductor heterojunctions , invited article for: Encyclopedia of Condensed Matter Physics, eds. Franco Bassani, Jerry Liedl, and Peter Wyder (Academic Press, Elsevier, 2005, ISBN: 0-12-227610-8), p. 273-281, doi:10.1016/B0-12-369401-9/01136-0


61.

X. Duan, M. Peressi, and S. Baroni, Characterization of Si-doped GaAs cross-sectional surfaces via ab initio simulations , Phys. Rev. B 72, 085341-(1-15) (2005), DOI 10.1103/PhysRevB.72.085341


62.

A. Stroppa and M. Peressi, ZnSe/GaAs(001) heterostructures with defected interfaces: structural, thermodynamic and electronic properties, Phys. Rev. B 72, 245304-(1-10) (2005), DOI 10.1103/PhysRevB.72.245304


63.

M. Peressi, A. Debernardi, A. Stroppa, X. Duan, M. Tosolini, A. Baldereschi, S. Picozzi, A. Continenza, Magnetic semiconductors for spintronic applications: bulk, surfaces and interfaces, in Science and Supercomputing at CINECA, Report 2005, (eds.: M. Voli and P. Coluccia, CINECA, 2006, ISBN 88-86037-16-3) p. 618-622, DOI: 10.1388/SSC(2005)-PH-618


64.

M. Peressi, A. Stroppa, L. Zoppi, M. Tosolini, A. Baldereschi, Wide-gap semiconductor heterostructures: from constituents materials to interfaces, in Science and Supercomputing at CINECA, Report 2005, (eds.: M. Voli and P. Coluccia, CINECA, 2006, ISBN 88-86037-16-3) p. 623-625, DOI: 10.1388/SSC(2005)-PH-623


65.

X. Duan, M. Peressi, and S. Baroni, Si-doped GaAs(110) cross-sectional surfaces, in Science and Supercomputing at CINECA, Report 2005, (eds.: M. Voli and P. Coluccia, CINECA, 2006, ISBN 88-86037-16-3) p. 626-628, DOI: 10.1388/SSC(2005)-PH-626


66.

A. Stroppa, X. Duan and M. Peressi, Structural and magnetic properties of Mn-doped GaAs(110) surface, Mat. Sci. Eng. B 126 (2-3), 217-221 (2006), DOI 10.1016/j.mseb.2005.09.033


67.

X. Duan, S. Baroni, S. Modesti, and M. Peressi, Cross-sectional imaging of sharp Si interlayers embedded in gallium arsenide, Appl. Phys. Lett. 88, 022115-(1-3) (2006), DOI 10.1016/10.1063/1.2162690


68.

X. Duan, M. Peressi, and S. Baroni, Ab initio simulation of Si-doped GaAs(110) cross-sectional surfaces, Mat. Sci. Eng. C 26, 756-759 (2006), DOI 10.1016/j.msec.2005.09.060


69.

Xunlei Ding, V. Pagan, M. Peressi, and F. Ancilotto, Modeling adsorption of CO2 on Ni(110) surface, Mat. Sci. Eng. C 27, 1355-1359 (September 2007), DOI 10.1016/j.msec.2006.06.024


70.

A. Stroppa and M. Peressi, Non-collinear Instability of Ferromagnetic Mn5Ge3 compound, Mat. Sci. Semic. Proc. 9, 841-847 (2006), DOI 10.1016/j.mssp.2006.08.057 or at http://arxiv.org/abs/cond-mat/0608176


71.

A. Stroppa and M. Peressi, Competing magnetic phases of Mn5Ge3 compound, Phys. stat. sol. (a) 204, 44-52 (January 2007), DOI 10.1002/pssa.200673014


72.

X. Duan, M. Peressi, and S. Baroni, Characterizing In and N impurities in GaAs from ab initio computer simulation of (110) cross-sectional STM images, Phys. Rev. B 75, 035338-(1-6) (January 2007), DOI 10.1103/PhysRevB.75.035338


73.

A. Stroppa, X. Duan, M. Peressi, D. Furlanetto, and S. Modesti, Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surface, Phys. Rev. B 75 195335-(1-6) (May 2007), DOI 10.1103/PhysRevB.75.195335; selected for the June 4, 2007, Vol. 15, Issue 22 of the Virtual Journal of Nanoscale Science & Technology


74.

N. Ghaderi, S. J. Hashemifar, H. Akbarzadeh, and M. Peressi, First principle study of Co2MnSi/GaAs(001) heterostructures, J. Appl. Phys. 102, 074306-(1-7) (October 2007), DOI 10.1063/1.2781529


75.

X. Ding, L. De Rogatis, E. Vesselli, A. Baraldi, G. Comelli, R. Rosei, L. Savio, L. Vattuone, M. Rocca, P. Fornasiero, F. Ancilotto, A. Baldereschi, and M. Peressi, Interaction of carbon dioxide with Ni(110): a combined experimental and theoretical study, Phys. Rev. B 76, 195425-(1-12) (November 2007), DOI 10.1103/PhysRevB.76.195425


76.

M. Peressi, A. Baldereschi, and S. Baroni, Ab-initio studies of structural and electronic properties , in "Characterization of Semiconductor Heterostructures and Nanostructures", ISBN: 978-0-444-53099-8, editor: C. Lamberti (Elsevier, 2008), p.17-54, DOI: 10.1016/B978-0-444-53099-8.00002-6


77.

Nahid Ghaderi, Maria Peressi and Nadia Binggeli, First-Principles Investigations of Intrinsic and Si-doped GaAs Nanowires: Structural Stability and Electronic Properties, in: "Frontiers of Fundamental and Computational Physics: 9th International Symposium", AIP Conference Proceedings 1018, Issue 1, 193-196 (2008), DOI: 10.1063/1.2947681


78.

X. Ding, L. De Rogatis, E. Vesselli, A. Baraldi, G. Comelli, R. Rosei, L. Savio, L. Vattuone, M. Rocca, P. Fornasiero, F. Ancilotto, A. Baldereschi, M. Peressi, Interaction of carbon dioxide with Ni(110): a combined experimental and theoretical study, in: "Frontiers of Fundamental and Computational Physics: 9th International Symposium", AIP Conference Proceedings 1018, Issue 1, 197-200 (2008), DOI: 10.1063/1.2947682


79.

E. Vesselli, L. De Rogatis, X. Ding, A. Baraldi, L. Savio, L. Vattuone, M. Rocca, P. Fornasiero, M. Peressi, A. Baldereschi, R. Rosei and G. Comelli, Carbon Dioxide hydrogenation on Ni(110), J. Am. Chem. Soc. 130, Issue 34, 11417-11422 (2008), DOI: 10.1021/ja802554g


80.

E. Vesselli, M. Rizzi, L. De Rogatis, X. Ding, A. Baraldi, G. Comelli, L. Savio, L. Vattuone, M. Rocca, P. Fornasiero, A. Baldereschi and M. Peressi, Hydrogen-Assisted Transformation of CO2 on Nickel: The Role of Formate and Carbon Monoxide, J. Phys. Chem. Lett. 1, 402-406 (January 2010), DOI: 10.1021/jz900221c


81.

N. Ghaderi, M. Peressi, N. Binggeli, and H. Akbarzadeh, Structural properties and energetics of intrinsic and Si-doped GaAs nanowires: First-principles pseudopotential calculations, Phys. Rev. B 81, 155311 (1-9) (April 2010), DOI: 10.1103/PhysRevB.81.155311


82.

C. Dri, A. Peronio, E. Vesselli, C. Africh, M. Rizzi, A. Baldereschi, M. Peressi, G. Comelli, Imaging and characterization of activated CO2 species on Ni(110) , Phys. Rev. B 82, 165403 (1-6) (October 2010), DOI: 10.1103/PhysRevB.82.165403


83.

N. Ghaderi and M. Peressi, First Principle Study of Hydroxyl Functional Groups on Pristine, Defected Graphene and Graphene Epoxide, J. Phys. Chem. C 114 (49), 21625-21630 (November 2010), DOI: 10.1021/jp108688m


84.

Michele Rizzi, Sara Furlan, Maria Peressi, Alfonso Baldereschi, Carlo Dri, Angelo Peronio, Cristina Africh, Paolo Lacovig, Erik Vesselli, and Giovanni Comelli, Tailoring Bimetallic Alloy Surface Properties by Kinetic Control of Self-Diffusion Processes at the Nanoscale , J. Am. Chem. Soc. 134 (40), 16827-16833 (2012), DOI: 10.1021/ja307294p


85.

M. Peressi and A. Baldereschi, Ab-initio studies of structural and electronic properties , in "Characterization of Semiconductor Heterostructures and Nanostructures", II Edition, ISBN: 978-0-444-59551-5, editors: C. Lamberti and G. Agostini (Elsevier, 2013), p. 21-73, also e-book


86.

M. Peressi, Surface functionalization of graphene , in "Graphene Chemistry: Theoretical Perspectives", ISBN: 978-1-119-94212-2, Editors: De-en Jiang, Zhongfang Chen (Wiley, 2013), p. 233-253.


87.

Erik Vesselli, Enrico Monachino, Michele Rizzi, Sara Furlan, Xiangmei Duan, Carlo Dri, Angelo Peronio, Cristina Africh, Paolo Lacovig, Alfonso Baldereschi, Giovanni Comelli, and Maria Peressi, Steering the chemistry of carbon oxides on a NiCu catalyst, ACS Catal. 3, 1555-1559 (2013), DOI: 10.1021/cs400327y (letter), with Supporting Information


88.

A. Peronio, A. Cepellotti, S. Marchini, N. Abdurakhmanova, C. Dri, C. Africh, F. Esch, M. Peressi and G. Comelli, NH3-NO coadsorption system on Pt(111): I. Structure of the mixed layer, J. Phys. Chem. C 117 (41), 21186-21195 (2013), DOI: 10.1021/jp406068y


89.

A. Cepellotti, A. Peronio, S. Marchini, N. Abdurakhmanova, C. Dri, C. Africh, F. Esch, G. Comelli and M. Peressi, NH3-NO coadsorption system on Pt(111): II. Intermolecular interaction, J. Phys. Chem. C 117 (41), 21196-21202 (2013), DOI: 10.1021/jp406069q, with Supporting Information


90.

F. Bianchini, L. L. Patera, M. Peressi, C. Africh and G. Comelli, Atomic scale identification of coexisting graphene structures on Ni(111), J. Phys. Chem. Lett. 5, 467-473 (2014), DOI: 10.1021/jp402609d, with Supporting Information and LiveSlides


91.

M. Peressi and E. Vesselli, Heterogeneous catalysis towards the nanoscale: Combining surface science experiments and numerical simulations, Il Nuovo Saggiatore 30 (3-4), 4-16 (2014), available online at the page: http://en.sif.it/activities/saggiatore/econtents (also cover)


92.

J. A. Olmos-Asar, E. Vesselli, A. Baldereschi, and M. Peressi, Self-seeded nucleation of Cu nanoclusters on Al2O3/Ni3Al(111): an ab-initio investigation, Physical Chemistry Chemical Physics 16, 23134-23142 (2014), with Supplementary Info, DOI: 10.1039/C4CP03271C


93.

M. Filiasi, G. Livan, M. Marsili, M. Peressi, E. Vesselli and E. Zarinelli, On the concentration of large deviations for fat tailed distributions, with application to financial data, J. Stat. Mech. 2014 (9), P09030 (September 2014), DOI:10.1088/1742-5468/2014/09/P09030


94.

L. L. Patera, F. Bianchini, G. Troiano, C. Dri, C. Cepek, M. Peressi, C. Africh, G. Comelli, Temperature driven changes of the graphene edge structure on Ni(111): substrate vs. hydrogen passivation, Nano Lett. 15 (1), 56-62 (January 2015; publication date (Web): 23 Dec 2014) DOI: 10.1021/nl5026985, with Supporting Information


95.

E. Panizon, J. A. Olmos-Asar, M. Peressi, and R. Ferrando, Structure and thermodynamics of CuNi nanoalloys by a new DFT-fitted atomistic potential, Physical Chemistry Chemical Physics 17, 28068-28075 (2015), Advance Article, Themed collection "Recent advances in the chemical physics of nanoalloys", DOI: 10.1039/C5CP00215J and a Correction, Physical Chemistry Chemical Physics 17, 28407, DOI: 10.1039/C5CP90107C


96.

J. A. Olmos-Asar, E. Vesselli, A. Baldereschi, and M. Peressi, Towards optimal seeding for the synthesis of ordered nanoparticle arrays on alumina/Ni3Al(111), Physical Chemistry Chemical Physics 17, 28154-28161 (2015), Advance Article, Themed collection "Recent advances in the chemical physics of nanoalloys", DOI: 10.1039/C5CP00304K


97.

J. A. Olmos-Asar, E. Monachino, C. Dri, A. Peronio, C. Africh, P. Lacovig, G. Comelli, A. Baldereschi, M. Peressi, and E. Vesselli, CO on supported Cu nanoclusters: coverage and finite size contributions to the formation of carbide via the Boudouard process, ACS Catalysis 5(5), 2719-2726 (March 2015), DOI: 10.1021/cs501361h


98.

Z. Feng, S. Velari, A. Cossaro, C. Castellarin-Cudia, A. Verdini, E. Vesselli, C. Dri, M. Peressi, A. De Vita, G. Comelli, Trapping of charged gold adatoms by dimethyl sulfoxide on a gold surface, ACS Nano 9 (9), 8697–8709 (2015), DOI: 10.1021/acsnano.5b02284 (see also Perspective of the same Volume)


99.

M. Peressi, Interaction of carbon monoxide with Cu nanoclusters grown on alumina surface, Il Nuovo Cimento 38 C (2), Article no. 68 (2015), DOI: 10.1393/ncc/i2015-15068-3


100.

M. Pividori, C. Dri, M.E. Orselli, F. Berti, M. Peressi and G. Comelli, Spontaneous symmetry breaking on ordered, racemic monolayers of achiral theophylline: formation of unichiral stripes on Au(111), Nanoscale 8, 19302-19313 (2016), DOI: 10.1039/C6NR05301G, with Supplementary Information


101.

N. Podda, M. Corva, F. Mohamed, Z. Feng, C. Dri, F. Dvorak, V. Matolín, G. Comelli, M. Peressi, E. Vesselli, Experimental and Theoretical Investigation of the Restructuring Process Induced by CO at Near Ambient Pressure: Pt Nanoclusters on Graphene/Ir(111), ACS Nano 11 (1), 1041–1053 (2017) (WEB published: 28 Dec 2016) DOI: 10.1021/acsnano.6b07876


102.

E. Vesselli and M. Peressi, Nanoscale control of metal clusters on templating supports (Chapter 8), Studies in Surface Science and Catalysis, Volume 177, 2017 (Morphological, Compositional, and Shape Control of Materials for Catalysis), Editors: P. Fornasiero and M. Cargnello (Elsevier) 1st Edition, ISBN: 978012805090, Pages 285–315, DOI: 10.1016/B978-0-12-805090-3.00008-5


103.

Erik Vesselli, Michele Rizzi, Sara Furlan, Xiangmei Duan, Enrico Monachino, Carlo Dri, Angelo Peronio, Cristina Africh, Paolo Lacovig, Alfonso Baldereschi, Giovanni Comelli, and Maria Peressi, Tunability of the CO adsorption energy on a Ni/Cu surface: site change and coverage effects, Journal of Chemical Physics 146, 224707 (2017), DOI: 10.1063/1.4985657


  


  

Some papers on Physics Education and Science dissemination:


1.

G. Pastore and M. Peressi, Doing physics with a computer in High Scools: designing and implementing numerical experiments, in "Proceedings of MPTL-14 (Multimedia in Physics Teaching and Learning)", Udine (Italy), Sept. 23-25, 2009, ISBN 2-914771-61-4


2.

G. Pastore and M. Peressi, Laboratorio di fisica computazionale nelle scuole: disegno ed implementazione di esperimenti numerici, in Atti del XLVIII Congresso Nazionale dell'AIF (Associazione per l'Insegnamento della Fisica), Mantova, 2009, "LA FISICA  NELLA  SCUOLA", ANNO XLIII (2010), ISSN 1120-6527, n. 4 Supplemento.

 

3. 

G. Pastore and M. Peressi, Fare Scienza con il computer: il moto browniano, cap. 2 in "Proposte didattiche sulla fisica moderna - Strumenti per una didattica laboratoriale", p. 111-118, a cura di M. Michelini  (2011), ISBN 978-88-97311-04-1


4. 

M. Peressi, L’esperienza del Piano Lauree Scientifiche - Fisica presso l’Università di Trieste, in "QuaderniCIRD 12 (2016)", pp. 251-260


5. 

M. Peressi, Di forma in forma: la materia nella vita di ogni giorno, in "Emmeciquadro 62, Sezione SCIENZAinATTO (settembre 2016)" (7 pp)


6. 

M. Peressi, M. Michelini, R. Rizzo, A. Stefanel, G. Pastore, Giornate di formazione per docenti di scuola secondaria di secondo grado “Dalla luce alla struttura della materia” (Udine, Università degli Studi, 15 ottobre 2015), in "QuaderniCIRD 13 (2016)", pp. 40-47


 
Some recent reports:

R1.

X. Ding, M. Peressi, A. Baldereschi, E. Vesselli, L. De Rogatis, A. Baraldi, G. Comelli, R. Rosei, P. Fornasiero, L. Savio, L. Vattuone, M. Rocca, Carbon dioxide activation and hydrogenation on Ni surfaces for organic synthesis, p. 96-97, in: ELETTRA Highlights 2007-2008

R2.

M. Peressi, M. Rizzi and A. Baldereschi, Simulazioni atomistiche da principi primi di materiali, nanostrutture, superfici, p. 55-59 (2009), in Relazione Scientifica Calcolo Intensivo, Anno 2009, Università di Trieste

R3.

M. Peressi, N. Ghaderi, M. Rizzi and A. Baldereschi, Modellizzazione da principi primi di interazione di molecole comuni nell'atmosfera con nanostrutture a base di carbonio e superfici metalliche, p. 39-44 (2010), in Relazione Scientifica Calcolo Intensivo, Anno 2010, Università di Trieste

R4.

M. Peressi, N. Ghaderi, M. Rizzi and A. Baldereschi, Modellizzazione da principi primi di superfici e nanostrutture, p. 29-34 (2011), in Relazione Scientifica Calcolo Intensivo, Anno 2011, Università di Trieste

R5.

M. Peressi, A. Cepellotti, A. Peronio, N. Ghaderi, S. Furlan, A. Baldereschi, Superfici metalliche, adsorbati, nanostrutture: modellizzazione da principi primi, p. 19-21 (2012), in Relazione Scientifica Calcolo Intensivo, Anno 2012, Università di Trieste

R6.

M. Rizzi, S. Furlan, M. Peressi, A. Baldereschi, C. Dri, A. Peronio, C. Africh, P. Lacovig, E. Vesselli, G. Comelli, Nanoscale control of self-diffusion processes in bimetallic alloys to tailor surface properties , p. 14-15 (2013), in: ELETTRA Highlights 2012-2013



Some recent contributions to Conferences:


C1.

N. Ghaderi Jouybari and M. Peressi, Interaction of small hydrogen and oxygen based molecules with carbon nanostructures (poster, Mo-CAT-P-083), presented at ECOSS-26 (European Conference on Surface Science), Parma (Italy), Aug. 30 - Sept. 04, 2009

C2.

M. Rizzi, M. Peressi, A. Baldereschi, Towards a molecular level understanding of activation and hydrogenation of CO2 on Ni(110) surface (poster), presented at 13th Intnl. Conf. on the Applications of Density Functional Theory in Chemistry and Physics, Lyon (France), Aug. 31 - Sept. 04, 2009

C3.

R. Sabatini and M. Peressi, Modeling nanocluster nucleation on graphene/graphite by combined ab-initio and Montecarlo simulations (poster, Mo-CLU-P-090), presented at ECOSS-26 (European Conference on Surface Science), Parma (Italy), Aug. 30 - Sept. 04, 2009

C4.

M. Peressi (speaker), E. Vesselli, L. De Rogatis, X. Ding, M. Rizzi, A. Baraldi, L. Savio, L. Vattuone, M. Rocca, P. Fornasiero, A. Baldereschi and G. Comelli, Hydrogenation of carbon dioxide on Ni(110) (contributed talk, ThA-E-CAT6-349), presented at ECOSS-26 (European Conference on Surface Science), Parma (Italy), Aug. 30 - Sept. 04, 2009

C5.

G. Pastore and M. Peressi (speaker), Doing physics with a computer in High Scools: designing and implementing numerical experiment (contributed talk: T3_111, slides, Booklet abstract - ISBN 2-914771-61-4 and Proceedings (full text)), presented at MPTL-14 (Multimedia in Physics Teaching and Learning), Udine (Italy), Sept. 23-25, 2009

C6.

G. Pastore (speaker) and M. Peressi, Laboratorio di fisica computazionale nelle scuole: disegno ed implementazione di esperimenti numerici (contributed talk), presented at XLVIII Congresso Nazionale dell'AIF (Associazione Insegnanti di Fisica), Mantova (Italy), Oct. 21-24, 2009

C7.

M. Peressi (speaker) and G. Pastore, Laboratorio di fisica computazionale nelle scuole: disegno ed implementazione di esperimenti numerici (contributed talk), presented at Comunicare Fisica 2010, Apr. 12-16, 2010, LNF Frascati (Roma)

C8.

M. Peressi and N. Ghaderi (speaker), First principle study of hydroxyl functional groups on graphene: effect of Stone-Wales and vacancy defects (contributed talk, NEM-A3-359), presented at ECOSS-27 (European Conference on Surface Science), Aug. 29 - Sept. 3, 2010, Groningen (NL)

C9.

M. Rizzi (speaker), C. Dri, E. Vesselli, A. Peronio, C. Africh, G. Comelli, A. Baldereschi, M. Peressi, Imaging and characterization of CO2 activated chemisorbed states on Ni-based model catalysts (contributed talk, SCR-M1-098), presented at ECOSS-27 (European Conference on Surface Science), Aug. 29 - Sept. 3, 2010, Groningen (NL)

C10.

N. Ghaderi, L. Salimi, M. Peressi, H. Akbarzadeh, Ab-initio study of the structural and electronic properties of InAs/GaAs radial heterostructures (poster, P269), presented at Psi-k Conference 2010, Sept 12-16, 2010, Berlin (DE)

C11.

N. Ghaderi and M. Peressi, Functionalization of graphene by hydroxyl: role of Stone-Wales defects and vacancies (poster, P314), presented at Psi-k Conference 2010, Sept 12-16, 2010, Berlin (DE)

C12.

M. Rizzi, C. Dri, E. Vesselli, C. Africh, A. Baraldi, M. Peressi, A. Baldereschi, P. Fornasiero, R. Rosei, M. Rizzi Adsorption and hydrogen-assisted transformation of CO2 on Ni(110) (poster, P654), presented at Psi-k Conference 2010, Sept 12-16, 2010, Berlin (DE)

C13.

M. Peressi, M. Rizzi, A. Baldereschi, Exploring Ni/Cu based catalysts at the nanoscale by first principles calculations (poster), presented at CECAM workshop - Nanoscale alloys: from experiment and theory to quantitative modelling, Sept. 13-16, 2010, Lausanne (CH)

C14.

X. Duan, M. Rizzi, M. Peressi, A. Baldereschi, Enhancement of catalytic activity on bimetallic Ni/Cu(110): a first principles study (poster D2 A8 15), presented at the 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Jan. 13-16, 2011, ICTP Trieste.

C15.

N. Ghaderi, L. Salimi, M. Peressi, H. Akbarzadeh, Ab-initio study of the structural and electronic properties of InAs/GaAs radial heterostructures (poster D2 A5 22), presented at the 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Jan. 13-16, 2011, ICTP Trieste.

C16.

N. Ghaderi and M. Peressi, First principle study of hydroxyl functional groups on pristine defected graphene and graphene epoxide (poster D2 A6 23), presented at the 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Jan. 13-16, 2011, ICTP Trieste.

C17.

M. Rizzi, C. Dri, A. Peronio, E. Vesselli, C Africh, A Baldereschi, M. Peressi and G. Comelli, Imaging and characterization of activated CO2 species on Ni(110) (poster D2 A8 59), presented at the 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Jan. 13-16, 2011, ICTP Trieste.

C18.

M. Rizzi (speaker), X. Duan, S. Furlan, M. Peressi, A. Baldereschi, Catalytic activity on bimetallic Ni/Cu(110): A first principles study (talk CAT), presented at ECOSS-28 (European Conference on Surface Science), 28 Aug.-2 Sept. 2011, Wroclav (PL).

C19.

M. Peressi and N. Ghaderi, Hydroxyl Functional Groups on Pristine, Defected Graphene, and Graphene Epoxide: insights from first principles calculations (poster n. 186), presented at the Graphene 2012 Intl. Conference, Apr. 10-13, 2012, Brussels (Belgium)

C20.

Maria Peressi (speaker), Erik Vesselli, Michele Rizzi, Sara Furlan, Carlo Dri, Angelo Peronio, Cristina Africh, Giovanni Comelli, and Alfonso Baldereschi, Atomic-scale composition of Ni-Cu bimetallic surfaces: competition between segregation and dissolution (talk, Topic GRO6), presented at the 16th edition of the International Conference on Solid Films and Surfaces Jul. 1-6, 2012, Genova (Italy)

C21.

M. Peressi (speaker), E. Vesselli, M. Rizzi, S. Furlan, C. Dri, A. Peronio, C. Africh, G. Comelli and A. Baldereschi, Atomic-scale composition of Ni-Cu bimetallic surfaces: competition between segregation and dissolution (talk; session: Metals, Alloys and their Surfaces 2), presented at the CMD-24, ECOSS-29, ECSCD-11, CMMP-12, Sept. 3-7, 2012, Edinburgh (UK)

C22.

F. Bianchini and M. Peressi, Graphene islands on Ni(111) surface: a first principle investigation (poster P1.001), presented at the CMD-24, ECOSS-29, ECSCD-11, CMMP-12, Sept. 3-7, 2012, Edinburgh (UK)

C23.

M. Peressi, Tailoring bimetallic alloy surface properties by kinetic control of self-diffusion processes at the nanoscale (talk) , presented at the COST MP0903 Action NANOALLOYS: Workshop - Working Group 2 & 4, Apr. 8-9, 2013, Lyon (France)

C24.

M. Peressi, L'esperienza degli stage di orientamento nell'ambito del Piano Lauree Scientifiche all'Universita' di Trieste (comunicazione nella Sessione VI, Sept. 17, 2013), XCIX Congresso Nazionale, Trieste, Sept. 23-27, 2013