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Tag: 2016

Photo-Induced Bandgap Renormalization Governs the Ultrafast Response of Single-Layer MoS2

Photo-Induced Bandgap Renormalization Governs the Ultrafast Response of Single-Layer MoS2

E. E. A. Pogna, M. Marsili, D. De Fazio, S. Dal Conte, C. Manzoni, D. Sangalli, D. Yoon, A. Lombardo, A. C. Ferrari, A. Marini, G. Cerullo, D. Prezzi

ACS NANO, 2016, 10 (1), 1182-1188 10.1021/acsnano.5b06488

First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals

First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals

N. L. Nguyen, G. Borghi, A. Ferretti, N. Marzari

J. Chem. Theory and Computation, 2016, 12 (8), pp 3948-3958. 10.1021/acs.jctc.6b00145

Accurate tight-binding Hamiltonians for two-dimensional and layered materials

Accurate tight-binding Hamiltonians for two-dimensional and layered materials

L. A. Agapito, M. Fornari, D. Ceresoli, A. Ferretti, S. Curtarolo, M. Buongiorno Nardelli

Phys. Rev. B, 2016,93, 125137 10.1103/PhysRevB.93.125137

Nonequilibrium optical properties in semiconductors from first principles: A combined theoretical and experimental study of bulk silicon

Nonequilibrium optical properties in semiconductors from first principles: A combined theoretical and experimental study of bulk silicon

D. Sangalli, S. Dal Conte, C. Manzoni, G. Cerullo, A. Marini

Phys. Rev. B., 2016, 94 (19), 195205. 10.1103/PhysRevB.93.195205

Temperature-dependent excitonic effects in the optical properties of single-layer MoS2

Temperature-dependent excitonic effects in the optical properties of single-layer MoS2

A. Molina-Sanchez, M. Palummo, A. Marini, L. Wirtz

Phys. Rev. B., 2016, 94 (15), 155435. 10.1103/PhysRevB.93.155435

Electronic Structure Evolution during the Growth of Graphene Nanoribbons on Au(110)

Electronic Structure Evolution during the Growth of Graphene Nanoribbons on Au(110)

A. Della Pia, G. Avvisati, O. Ourdjini, C. Cardoso, D. Varsano, D. Prezzi, A. Ferretti, C. Mariani, M. G. Betti

J. of Phys. Chem. C. 120 (13), 7323-7331 (2016). 10.1021/acs.jpcc.5b11884

Unified theory of quantized electrons, phonons, and photons out of equilibrium: A simplified ab initio approach based on the generalized Baym-Kadanoff ansatz

Unified theory of quantized electrons, phonons, and photons out of equilibrium: A simplified ab initio approach based on the generalized Baym-Kadanoff ansatz

P. M.M. C. de Melo, A. Marini

Phys. Rev. B., 2016, 93 (15), 155102. 10.1103/PhysRevB.93.155102

Anomalous Temperature Dependence of the Band Gap in Black Phosphorus

Anomalous Temperature Dependence of the Band Gap in Black Phosphorus

C. E. P. Villegas, A. R. Rocha, A. Marini

Nano Letters, 2016, 16 (8), 5095-5101. 10.1021/acs.nanolett.6b02035

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