Yayıncı "Royal Soc Chemistry" Makale Koleksiyonu için listeleme
Toplam kayıt 5, listelenen: 1-5
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Engineering electronic properties of metal-MoSe2 interfaces using self-assembled monolayers
(Royal Soc Chemistry, 2014)Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a ... -
The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers
(Royal Soc Chemistry, 2018)The newest members of a two-dimensional material family, involving transition metal carbides and nitrides (called MXenes), have garnered increasing attention due to their tunable electronic and thermal properties depending ... -
Mo2C as a high capacity anode material: a first-principles study
(Royal Soc Chemistry, 2016)The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. ... -
Modelling free and oxide-supported nanoalloy catalysts: comparison of bulk-immiscible Pd-Ir and Au-Rh systems and influence of a TiO2 support
(Royal Soc Chemistry, 2018)The relative stabilities of different chemical arrangements of Pd-Ir and Au-Rh nanoalloys (and their pure metal equivalents) are studied, for a range of compositions, for fcc truncated octahedral 38- and 79-atom nanoparticles ... -
MXenes/graphene heterostructures for Li battery applications: a first principles study
(Royal Soc Chemistry, 2018)MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this ...