Bandgap Engineering of Graphene Nanoribbons by Control over Structural Distortion
Bandgap Engineering of Graphene Nanoribbons by Control over Structural Distortion
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Spin dynamics from time-dependent density functional perturbation theory
Spin dynamics from time-dependent density functional perturbation theory
T. Gorni, I. Timrov, and S. Baroni
Eur. Phys. J. B 91, 249 (2018) 10.1140/epjb/e2018-90247-9
Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath
Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath
G. Pizzi, A. Togo, and B. Kozinsky
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Open-Science Platform for Computational Materials Science: AiiDA and the Materials Cloud
Open-Science Platform for Computational Materials Science: AiiDA and the Materials Cloud
G. Pizzi
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Hybrid quantum anomalous Hall effect at graphene-oxide interfaces
Hybrid quantum anomalous Hall effect at graphene-oxide interfaces
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Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach
Addressing the Environment Electrostatic Effect on Ballistic Electron Transport in Large Systems: A QM/MM-NEGF Approach
G.T. Feliciano, C.Sanz-Navarro, M.D. Coutinho-Neto, P. Ordejon, R.H. Scheicher, A.R. Rocha
Journal of Physical Chemistry B, 2018, 122, 485. 10.1021/acs.jpcb.7b03475
Charge Separation in Donor–C60 Complexes with Real-Time Green Functions: The Importance of Nonlocal Correlations
Charge Separation in Donor–C60 Complexes with Real-Time Green Functions: The Importance of Nonlocal Correlations
E. Viñas Boström, A. Mikkelsen, C. Verdozzi, E. Perfetto, G. Stefanucci
Nano Letters, 2018, 18 (2), pp 785–792. 10.1021/acs.nanolett.7b03995
Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides
Theory and Ab Initio Computation of the Anisotropic Light Emission in Monolayer Transition Metal Dichalcogenides
H. Y. Chen, M. Palummo, D. Sangalli, M. Bernardi
Nano Letters, 2018, 18, pp 3839-3843. 10.1021/acs.nanolett.8b01114
Spin Proximity Effects in Graphene/Topological Insulator Heterostructures
Spin Proximity Effects in Graphene/Topological Insulator Heterostructures
K. Song, D. Soriano, A. W. Cummings, R. Robles, P. Ordejón, S. Roche
Nano Letters, 2018, 18, 2033. 10.1021/acs.nanolett.7b05482
Spin-Crossover in an Exfoliated 2D Coordination Polymer and Its Implementation in Thermochromic Films
Spin-Crossover in an Exfoliated 2D Coordination Polymer and Its Implementation in Thermochromic Films
S. Suárez-García, N. N. Adarsh, G. Molnár, A. Bousseksou, Y. Garcia, M. M. Dîrtu, J. Saiz-Poseu, R. Robles, P. Ordejón, D. Ruiz-Molina
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