Maria Peressi

List of publications:

Scientific papers in international Journals and Books (updated July 2022):

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. DOI: 10.1002/9781118691281.ch11

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: https://www.ilnuovosaggiatore.sif.it/issue/5 (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 (2015) DOI: 10.1021/nl5026985, with Supporting Information

95.

E. Panizon, J. A. Olmos-Asar, M. Peressi, and R. Ferrando, Study of 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.

Nicola Podda, Manuel Corva, Fatema Mohamed, Zhijing Feng, Carlo Dri, Filip Dvorak, Vladimir Matolin, Giovanni Comelli, Maria Peressi, Erik 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.

Erik Vesselli and Maria 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

104.

Zhiyu Zou, Virginia Carnevali, Matteo Jugovac, Laerte L. Patera, Alessandro Sala, Mirco Panighel, Cinzia Cepek, German Soldano, Marcelo M. Mariscal, Maria Peressi, Giovanni Comelli, Cristina Africh, Graphene on nickel (100) micrograins: modulating the interface interaction by extended moiré superstructures, Carbon 130, 441-447 (2018) DOI: 10.1016/j.carbon.2018.01.010

105.

Laerte L. Patera, Federico Bianchini, Cristina Africh, Carlo Dri, German Soldano, Marcelo M. Mariscal, Maria Peressi, Giovanni Comelli, Real-time imaging of adatom-promoted graphene growth on nickel, Science 359(6381), 1243-1246 (2018) DOI: 10.1126/science.aan8782

106.

Manuel Corva, Fatema Mohamed, Erika Tomsic, Zhijing Feng, Tomas Skala, Giovanni Comelli, Nicola Seriani, Maria Peressi, and Erik Vesselli, Substrate- to Laterally-Driven Self-Assembly Steered by Cu Nanoclusters: The Case of FePcs on an Ultrathin Alumina Film, ACS Nano 12 (11), 10755–10763 (2018) DOI: 10.1021/acsnano.8b05992

107.

Luca Redivo, Rozalia-Maria Anastasiadi, Marco Pividori, Federico Berti, Maria Peressi, Devis Di Tommaso, Marina Resmini, Prediction of self-assembly of adenosine analogues in solution: a computational approach validated by isothermal titration calorimetry, Physical Chemistry Chemical Physics 21, 4258-4267 (2019) DOI: 10.1039/C8CP05647A

108.

Manuel Corva, Fatema Mohamed, Erika Tomsic, Matteo Rinaldi, Cinzia Cepek, Nicola Seriani, Maria Peressi, and Erik Vesselli, Learning from Nature: Charge Transfer and Carbon Dioxide Activation at Single, Biomimetic Fe Sites in Tetrapyrroles on Graphene, J. Phys. Chem. C 123 (6), 3916-3922 (2019) DOI: 10.1021/acs.jpcc.8b11871

109.

Zhijing Feng, Simone Velari, Carlo Dri, Andrea Goldoni, Laerte L. Patera, Irene Regeni, Cristina Forzato, Federico Berti, Maria Peressi, Alessandro De Vita, and Giovanni Comelli, Bifunctional Behavior of a Porphyrin in Hydrogen-Bonded Donor-Acceptor Molecular Chains on a Gold Surface, J. Phys. Chem. C 123 (12), 7088–7096 (2019), DOI: 10.1021/acs.jpcc.8b08939

110.

Virginia Carnevali, Laerte Patera, Gianluca Prandini, Matteo Jugovac, Silvio Modesti, Giovanni Comelli, Maria Peressi, Cristina Africh, Doping of epitaxial graphene by direct incorporation of nickel adatoms, Nanoscale 11, 10358-10364 (2019), DOI: 10.1039/C9NR01072F

111.

Davide Soranzio, Peressi Maria, Robert J. Cava, Fulvio Parmigiani, and Federico Cilento Ultrafast broadband optical spectroscopy for quantifying subpicometric coherent atomic displacements in WTe2, Physical Review Research 1, 032033(R) (2019),DOI: 10.1103/PhysRevResearch.1.032033

112.

Zhiyu Zou, Virginia Carnevali, Laerte L. Patera, Matteo Jugovac, Cinzia Cepek, Maria Peressi, Giovanni Comelli, Cristina Africh, Operando atomic-scale study of graphene CVD growth at steps of polycrystalline nickel, Carbon 161, 528-534 (2020), DOI: 10.1016/j.carbon.2020.01.039

113.

Zhijing Feng, Simone Velari, Carlo Dri, Andrea Goldoni, Maria Peressi, Giovanni Comelli, Binary Conformational Switches in a Porphyrin Chain: Tautomerization and Stereoisomerization, J. Phys. Chem. C 124(21), 11376-11382 (2020), DOI: 10.1021/acs.jpcc.0c00471

114.

Daniele Perilli, Sara Fiori, Mirco Panighel, Hongsheng Liu, Cinzia Cepek, Maria Peressi, Giovanni Comelli, Cristina Africh, and Cristiana Di Valentin, Mechanism of CO Intercalation through the Graphene/Ni(111) Interface and Effect of Doping, J. Phys. Chem. Lett. 11 (20) 8887–8892 (2020), DOI: 10.1021/acs.jpclett.0c02447

115.

Srdjan Stavric, Simone del Puppo, Zeljko Sljivancanin, and Maria Peressi First-principles study of nickel reactivity under 2D cover: Ni2C formation at the graphene/Ni(111) interface, Physical Review Materials 5, 014003 (2021), DOI: 10.1103/PhysRevMaterials.5.014003

116.

Simone Del Puppo, Virginia Carnevali, Daniele Perilli, Francesca Zarabara, Alberto Lodi Rizzini, Gabriele Fornasier, Erik Zupanic, Sara Fiori, Laerte L. Patera, Mirco Panighel, Sunil Bhardwaj, Zhiyu Zou, Giovanni Comelli, Cristina Africh, Cinzia Cepek, Cristiana Di Valentin, Maria Peressi, Tuning graphene doping by carbon monoxide intercalation at the Ni(111) interface, Carbon 176, 253-261 (2021), DOI: 10.1016/j.carbon.2021.01.120

117.

Virginia Carnevali, Stefano Marcantoni, Maria Peressi, Moiré patterns generated by stacked 2D lattices: a general algorithm to identify primitive coincidence cells, Computational Materials Science 196, 110516 (2021), DOI: 10.1016/j.commatsci.2021.110516

118.

Alessandro Sala, Zhiyu Zou, Virginia Carnevali, Mirco Panighel, Francesca Genuzio, Tevfik O. Menteş, Andrea Locatelli, Cinzia Cepek, Maria Peressi, Giovanni Comelli, and Cristina Africh, Quantum confinement in aligned zigzag ``pseudo-ribbons embedded'' in graphene on Ni(100), Adv. Func. Mat. 32, 210584 (2022), DOI: 10.1002/adfm.202105844

119.

Valeria Chesnyak, Srdjan Stavric, Mirco Panighel, Giovanni Comelli, Maria Peressi, Cristina Africh, Carbide Coating on Nickel to Enhance the stability of Supported Metal Nanoclusters, Nanoscale 14, 3589-3598 (2022), https://doi.org/10.1039/D1NR06485A

120.

Francesco Armillotta, Davide Bidoggia, Stefania Baronio, Pietro Biasin, Antonio Annese, Mattia Scardamaglia, Suyun Zhu, Benedetto Bozzini, Silvio Modesti, Maria Peressi and Erik Vesselli, Single Metal Atom Catalysts and ORR: H-Bonding, Solvation, and the Elusive Hydroperoxyl Intermediate, ACS Catal. 12(13) 7950–7959 (2022), https://doi.org/10.1021/acscatal.2c02029

121.

Davide Soranzio, Matteo Savoini, Paul Beaud, Federico Cilento, Larissa Boie, Janine Dössegger, Vladimir Ovuka, Sarah Houver, Mathias Sander, Serhane Zerdane, Elsa Abreu, Yunpei Deng, Roman Mankowsky, Henrik T. Lemke, Fulvio Parmigiani, Maria Peressi, and Steven L. Johnson, Strong modulation of carrier effective mass in WTe2 via coherent lattice manipulation, under review on npj 2D Materials and Applications (2022)

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, ISSN: 2039-8646

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, ISSN: 2039-8646

7. 

V. Bologna, M. Peressi, F. Longo, G. Pastore, Interazione disciplinare tra matematica e fisica: un incontro di formazione per gli insegnanti con Olivia Levrini, in "QuaderniCIRD 19 (2019)", pp. 87-92, ISSN: 2039-8646

8. 

M. Peressi, Una calcolatrice binaria senza saper contare, in "QuaderniCIRD 20 (2020)", pp. 126-138, ISSN: 2039-8646

9. 

P. Nitti, (…), M. Peressi, M. Palla, Notizia. Strutture spaziali in natura. La proposta formativa di Scienze erogata nell’a. a. 2019-20 dal Polo di Trieste della Fondazione “I Lincei per la Scuola”, in "QuaderniCIRD 21 (2020)", pp. 232-244, ISSN: 2039-8646