Search research articles
Contact Us
Filters
Showing results (1-10 of 30) with videos related to
Page
of 3
Sort By:
The Journal of Chemical Physics
|
December 3, 2016
Electrolyte decomposition on Li-metal surfaces from first-principles theory
Mahsa Ebadi, Daniel Brandell, C Moyses Araujo
The Journal of Chemical Physics
|
November 29, 2023
Unveiling the impact of exchange-correlation functionals on the description of key electronic properties of non-fullerene acceptors in organic photovoltaics
Leandro R Franco, Cleber Marchiori, C Moyses Araujo
Science and Technology of Advanced Materials
|
November 24, 2016
Crafting ferromagnetism in Mn-doped MgO surfaces with p-type defects
Puspamitra Panigrahi, C Moyses Araujo, Tanveer Hussen, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 7, 2014
Hole induced Jahn Teller distortion ensuing ferromagnetism in Mn-MgO: bulk, surface and one dimensional structures
Puspamitra Panigrahi, Tanveer Hussain, C Moyses Araujo, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2024
The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations
Melania Kozdra, Daniel Brandell, C Moyses Araujo, et al.
The Journal of Chemical Physics
|
July 16, 2021
Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe<sup>3+</sup>, Al<sup>3+</sup>, and Cu<sup>2</sup>
Giane B Damas, Luciano T Costa, Rajeev Ahuja, et al.
Dalton Transactions (Cambridge, England : 2003)
|
July 18, 2023
Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions
Felicia Zaar, C Moyses Araujo, Rikard Emanuelsson, et al.
The Journal of Chemical Physics
|
September 7, 2015
Assessing photocatalytic power of g-C3N4 for solar fuel production: A first-principles study involving quasi-particle theory and dispersive forces
J M Osorio-Guillén, W F Espinosa-García, C Moyses Araujo
The Journal of Chemical Physics
|
November 15, 2022
Understanding the lithiation limits of high-capacity organic battery anodes by atomic charge derivative analysis
Rodrigo P Carvalho, Cleber F N Marchiori, Daniel Brandell, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
Functional Role of Pyridinium during Aqueous Electrochemical Reduction of CO2 on Pt(111)
Mehmed Z Ertem, Steven J Konezny, C Moyses Araujo, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
December 3, 2016
Electrolyte decomposition on Li-metal surfaces from first-principles theory
Mahsa Ebadi, Daniel Brandell, C Moyses Araujo
The Journal of Chemical Physics
|
November 29, 2023
Unveiling the impact of exchange-correlation functionals on the description of key electronic properties of non-fullerene acceptors in organic photovoltaics
Leandro R Franco, Cleber Marchiori, C Moyses Araujo
Science and Technology of Advanced Materials
|
November 24, 2016
Crafting ferromagnetism in Mn-doped MgO surfaces with p-type defects
Puspamitra Panigrahi, C Moyses Araujo, Tanveer Hussen, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 7, 2014
Hole induced Jahn Teller distortion ensuing ferromagnetism in Mn-MgO: bulk, surface and one dimensional structures
Puspamitra Panigrahi, Tanveer Hussain, C Moyses Araujo, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2024
The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations
Melania Kozdra, Daniel Brandell, C Moyses Araujo, et al.
The Journal of Chemical Physics
|
July 16, 2021
Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe<sup>3+</sup>, Al<sup>3+</sup>, and Cu<sup>2</sup>
Giane B Damas, Luciano T Costa, Rajeev Ahuja, et al.
Dalton Transactions (Cambridge, England : 2003)
|
July 18, 2023
Tetraphenylporphyrin electrocatalysts for the hydrogen evolution reaction: applicability of molecular volcano plots to experimental operating conditions
Felicia Zaar, C Moyses Araujo, Rikard Emanuelsson, et al.
The Journal of Chemical Physics
|
September 7, 2015
Assessing photocatalytic power of g-C3N4 for solar fuel production: A first-principles study involving quasi-particle theory and dispersive forces
J M Osorio-Guillén, W F Espinosa-García, C Moyses Araujo
The Journal of Chemical Physics
|
November 15, 2022
Understanding the lithiation limits of high-capacity organic battery anodes by atomic charge derivative analysis
Rodrigo P Carvalho, Cleber F N Marchiori, Daniel Brandell, et al.
The Journal of Physical Chemistry Letters
|
August 19, 2015
Functional Role of Pyridinium during Aqueous Electrochemical Reduction of CO2 on Pt(111)
Mehmed Z Ertem, Steven J Konezny, C Moyses Araujo, et al.
Page
of 3