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[HTML][HTML] Siesta: Recent developments and applications
A review of the present status, recent enhancements, and applicability of the S iesta program
is presented. Since its debut in the mid-1990s, S iesta's flexibility, efficiency, and free …
is presented. Since its debut in the mid-1990s, S iesta's flexibility, efficiency, and free …
Heterogenisation of polyoxometalates and other metal-based complexes in metal–organic frameworks: from synthesis to characterisation and applications in catalysis
P Mialane, C Mellot-Draznieks, P Gairola… - Chemical Society …, 2021 - pubs.rsc.org
The last few years have seen huge growing interest in the heterogenisation of molecular
catalysts since it allows combining the advantages of homogeneous and heterogeneous …
catalysts since it allows combining the advantages of homogeneous and heterogeneous …
Atomic-scale control of graphene magnetism by using hydrogen atoms
Isolated hydrogen atoms absorbed on graphene are predicted to induce magnetic moments.
Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a …
Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a …
Achieving Selective and Efficient Electrocatalytic Activity for CO2 Reduction Using Immobilized Silver Nanoparticles
Selective electrochemical reduction of CO2 is one of the most sought-after processes
because of the potential to convert a harmful greenhouse gas to a useful chemical. We have …
because of the potential to convert a harmful greenhouse gas to a useful chemical. We have …
Hybrid passivated colloidal quantum dot solids
Colloidal quantum dot (CQD) films allow large-area solution processing and bandgap tuning
through the quantum size effect,,,,,. However, the high ratio of surface area to volume makes …
through the quantum size effect,,,,,. However, the high ratio of surface area to volume makes …
Gas sensor based on MoS2 monolayer
We investigate the electronic and transport properties of a MoS 2 monolayer transducer with
some simple gas molecules, such as CO, CO 2 and NO to explore theoretically sensing …
some simple gas molecules, such as CO, CO 2 and NO to explore theoretically sensing …
NH2CHNH2PbI3: An Alternative Organolead Iodide Perovskite Sensitizer for Mesoscopic Solar Cells
A new nearly cubic NH2CH NH2PbI3 (FAPbI3) perovskite was synthesized for the
mesoscopic solar cells. The measured band gap of bulk FAPbI3 is 1.43 eV and it is therefore …
mesoscopic solar cells. The measured band gap of bulk FAPbI3 is 1.43 eV and it is therefore …
Graphene-analogous low-dimensional materials
Graphene, an atomic monolayer of carbon atoms in a honeycomb lattice realized in 2004,
has rapidly risen as the hottest star in materials science due to its exceptional properties …
has rapidly risen as the hottest star in materials science due to its exceptional properties …
[HTML][HTML] MAPbI3 and FAPbI3 perovskites as solar cells: Case study on structural, electrical and optical properties
Recently, hybrid organic-inorganic perovskite (HOIP) solar cells with AMX 3-perovskite-
based photovoltaics have opened up a new paradigm in solar cell fabrication. Among …
based photovoltaics have opened up a new paradigm in solar cell fabrication. Among …
Electronic structure of transition metal dichalcogenides monolayers 1H-MX2 (M = Mo, W; X = S, Se, Te) from ab-initio theory: new direct band gap semiconductors
We report first principles calculations of the electronic structure of monolayer 1H-MX 2 (M=
Mo, W; X= S, Se, Te), using the pseudopotential and numerical atomic orbital basis sets …
Mo, W; X= S, Se, Te), using the pseudopotential and numerical atomic orbital basis sets …