Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Mayada Fadel"'
Autor:
Junqing Xu, Kejun Li, Uyen N. Huynh, Mayada Fadel, Jinsong Huang, Ravishankar Sundararaman, Valy Vardeny, Yuan Ping
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-13 (2024)
Abstract Spintronics in halide perovskites has drawn significant attention in recent years, due to their highly tunable spin-orbit fields and intriguing interplay with lattice symmetry. Here, we perform first-principles calculations to determine the
Externí odkaz:
https://doaj.org/article/3b8ca77b46784db1bdfdf69f137fc8e9
Publikováno v:
Carbon Trends, Vol 12, Iss , Pp 100286- (2023)
An efficient semiempirical computational methodology is developed for the simulation of Tip-Enhanced Raman Spectroscopy (TERS), by combining the discrete-dipole approximation (DDA), the bond polarizability model (BPM), and density functional theory (
Externí odkaz:
https://doaj.org/article/543ec80d757e444084234cffc84d05cc
Autor:
Mário Rocha dos Santos, Mayada Fadel, Paloma Vieira Silva, Vincent Meunier, Eduardo Costa Girão
Publikováno v:
Physical Chemistry Chemical Physics.
Metal-to-semiconducting transition in the naphthylene-β 2D lattice induced by a spin-polarized state.
Publikováno v:
Physical Review Materials. 6
Autor:
Eduardo Costa Girão, Mayada Fadel, Antonio G. Souza Filho, Vincent Meunier, Paloma Vieira Silva
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(40)
Tripentaphenes are 2D nanocarbon lattices conceptually obtained from the assembly of acepentalene units. In this work, density functional theory is used to investigate their structural, electronic, and vibrational properties. Their bonding configurat
Naphthylene- γ : 1D and 2D carbon allotropes based on the fusion of phenyl- and naphthyl-like groups
Autor:
Vincent Meunier, Eduardo Costa Girão, Eduardo Moraes Diniz, David Joseph Pereira Beserra, Aldilene Saraiva-Souza, Mayada Fadel
Publikováno v:
Physical Review Materials. 4
Graphenylene and naphthylene have recently been proposed as two-dimensional carbon allotropes conceptually defined by the assembly of phenyl-like (P) or naphthyl-like (N) units with the creation of side squarelike rings. These structures can be cut i