May 3, 2021
Interface Engineering in Hybrid Iodide CH3NH3PbI3 Perovskites Using Lewis Base and Graphene toward High-Performance Solar Cells
C. J. Yu, Y. H. Kye, U. G. Jong, K. C. Ri, S. H. Choe, J. S. Kim, S. G. Ko, G. I. Ryu, and B. Kim
May 3, 2021
One-Dimensional Fullerene/Porphyrin Cocrystals: Near-Infrared Light Sensing through Component Interactions
T. Wakahara, K. Nagaoka, A. Nakagawa, C. Hirata, Y. Matsushita, K. Miyazawa, O. Ito, Y. Wada, M...
May 3, 2021
Control of Charge Carriers and Band Structure in 2D Monolayer Molybdenum Disulfide via Covalent Functionalization
L.O. Jones, M. A. Mosquera, M. A. Ratner, and G. C. Schatz
May 3, 2021
Importance of Vacancies and Doping in the Hole-Transporting Nickel Oxide Interface with Halide Perovskites
B. Traore, L. Pedesseau, J.C. Blancon, S. Tretiak, A.D. Mohite, J. Even, C. Katan, and M. Kepenekian
May 3, 2021
Large Dzyaloshinskii-Moriya interaction induced by chemisorbed oxygen on a ferromagnet surface
G. Chen, A. Mascaraque, H. Jia, B. Zimmermann, M.C. Robertson, R. Lo Conte, M. Hoffmann, M. A...
May 3, 2021
Proximity effect in a superconductor–topological insulator heterostructure based on first principles
K. Park , G. Csire, and B. Ujfalussy
May 3, 2021
A systematic approach to generating accurate neural network potentials: the case of carbon
Y. Shaidu, E. Kucukbenli, R. Lot, F. Pellegrini, E. Kaxiras, and S. de Gironcoli
April 30, 2021
Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities
M. Winkelmann, E. Di Napoli, D. Wortmann, and S. Blügel
April 30, 2021
Generating neural network potentials
The scope of this work is the generation of a general purpose potential that can deal - in an unbiased way - with very different carbon polymorphs. At the present time, it is possible to develop custom tailored potential for materials in specific crystal structures, but their accuracy is not transferable to other conformations.
April 29, 2021
MaX Internal Meeting
MaX Community will gather on Friday April 30, 2021 and Tuesday May 3, 2021 to discuss the project's...
April 27, 2021
Spinorial formulation of the GW-BSE equations and spin properties of excitons in two-dimensional transition metal dichalcogenides
In many paradigmatic materials, such as transition metal dichalcogenides, the role played by the...
April 19, 2021
Major changes in the new Yambo release
MaX Centre of Excellence is proud to present the new release of one of its flagship codes: Yambo 5...
April 15, 2021
Prediction of Phonon-Mediated Superconductivity with High Critical Temperature in the Two-Dimensional Topological Semimetal W2N3
D. Campi, S. Kumari, and N. Marzari
April 15, 2021
Prediction of Phonon-Mediated Superconductivity with High Critical Temperature in the Two-Dimensional Topological Semimetal W2N3
Two-dimensional superconductors attract great interest both for their fundamental physics and for...
April 12, 2021
In-plane anisotropic optical and mechanical properties of two-dimensional MoO3
Molybdenum trioxide (MoO3) in-plane anisotropy has increasingly attracted the attention of the...
April 7, 2021
Excitonic insulation: Cnr-Nano researchers demonstrate that can be realized in bulk materials
CNR Press Release CNR-Nano researchers predict that the ‘long sought’ excitonic insulator -...
April 2, 2021
Materials Cloud is a recognized data repository of Open Research Europe
MaX is pleased to inform that Materials Cloud is suggested as " stable and recognised open...
March 31, 2021
Time-dependent screening explains the ultrafast excitonic signal rise in 2D semiconductors
V. Smejkal, F. Libisch, A. Molina-Sanchez, L. Wirtz, and A. Marini
March 31, 2021
Narrowing of d bands of FeCo layers intercalated under graphene
D. Pacilè, C. Cardoso, G. Avvisati, I. Vobornik, C. Mariani, D. A. Leon, P. Bonfà, D. Varsano, A...
March 29, 2021
CNR Nano researchers mix Fe and Co in a new artificial 2D layer
The combination of graphene, a prototypical bidimensional material, with ferromagnets is a rich...
March 23, 2021
Localized electronic vacancy level and its effect on the properties of doped manganites
Oxygen vacancies are common to most metal oxides and usually play a crucial role in determining the...
March 23, 2021
Evidence of ideal excitonic insulator in bulk MoS2 under pressure
Spontaneous condensation of excitons is a long-sought phenomenon analogous to the condensation of...