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Physical Chemistry Chemical Physics : PCCP
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September 4, 2014
Line defects and induced doping effects in graphene, hexagonal boron nitride and hybrid BNC
Narjes Ansari, Fariba Nazari, Francesc Illas
The Journal of Physical Chemistry. A
|
January 23, 2014
Theoretical study of hydrogen permeation through mixed NiO-MgO films supported on Mo(100): role of the oxide-metal interface
Daniel Torres, Francesc Illas, Ping Liu
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2015
Theoretical study of electronic and tribological properties of h-BNC2/graphene, h-BNC2/h-BN and h-BNC2/h-BNC2 bilayers
Narjes Ansari, Fariba Nazari, Francesc Illas
Journal of Chemical Theory and Computation
|
February 3, 2023
Artificial Neural Network-Derived Unified Six-Dimensional Potential Energy Surface for Tetra Atomic Isomers of the Biogenic [H, C, N, O] System
Fatemeh Arab, Fariba Nazari, Francesc Illas
Physical Review Letters
|
November 22, 1993
Towards an ab initio description of magnetism in ionic solids
Illas, Casanovas, García-Bach, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2017
Influence of NO and (NO)<sub>2</sub> adsorption on the properties of Fe-N4 porphyrin-like graphene sheets
Elham Ashori, Fariba Nazari, Francesc Illas
The Journal of Chemical Physics
|
June 25, 2005
On the convergence of isolated neutral oxygen vacancy and divacancy properties in metal oxides using supercell models
Javier Carrasco, Nuria Lopez, Francesc Illas
Physical Review. B, Condensed Matter
|
November 15, 1986
Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystals
Barone, Lelj, Russo, et al.
Physical Review Letters
|
February 1, 2008
Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces
Javier Carrasco, Francesc Illas, Nuria Lopez
ACS Catalysis
|
October 24, 2024
Unveiling the Synergy between Surface Terminations and Boron Configuration in Boron-Based Ti<sub>3</sub>C<sub>2</sub> MXenes Electrocatalysts for Nitrogen Reduction Reaction
Ling Meng, Francesc Viñes, Francesc Illas
Page
of 30
Search research articles
Search
Showing results (31-40 of 292) with videos related to
Sort By:
Page
of 30
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2014
Line defects and induced doping effects in graphene, hexagonal boron nitride and hybrid BNC
Narjes Ansari, Fariba Nazari, Francesc Illas
The Journal of Physical Chemistry. A
|
January 23, 2014
Theoretical study of hydrogen permeation through mixed NiO-MgO films supported on Mo(100): role of the oxide-metal interface
Daniel Torres, Francesc Illas, Ping Liu
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2015
Theoretical study of electronic and tribological properties of h-BNC2/graphene, h-BNC2/h-BN and h-BNC2/h-BNC2 bilayers
Narjes Ansari, Fariba Nazari, Francesc Illas
Journal of Chemical Theory and Computation
|
February 3, 2023
Artificial Neural Network-Derived Unified Six-Dimensional Potential Energy Surface for Tetra Atomic Isomers of the Biogenic [H, C, N, O] System
Fatemeh Arab, Fariba Nazari, Francesc Illas
Physical Review Letters
|
November 22, 1993
Towards an ab initio description of magnetism in ionic solids
Illas, Casanovas, García-Bach, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 14, 2017
Influence of NO and (NO)<sub>2</sub> adsorption on the properties of Fe-N4 porphyrin-like graphene sheets
Elham Ashori, Fariba Nazari, Francesc Illas
The Journal of Chemical Physics
|
June 25, 2005
On the convergence of isolated neutral oxygen vacancy and divacancy properties in metal oxides using supercell models
Javier Carrasco, Nuria Lopez, Francesc Illas
Physical Review. B, Condensed Matter
|
November 15, 1986
Nonempirical cluster-model study of the chemisorption of atomic hydrogen on the (111) surface of diamondlike crystals
Barone, Lelj, Russo, et al.
Physical Review Letters
|
February 1, 2008
Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces
Javier Carrasco, Francesc Illas, Nuria Lopez
ACS Catalysis
|
October 24, 2024
Unveiling the Synergy between Surface Terminations and Boron Configuration in Boron-Based Ti<sub>3</sub>C<sub>2</sub> MXenes Electrocatalysts for Nitrogen Reduction Reaction
Ling Meng, Francesc Viñes, Francesc Illas
Page
of 30