First-principles studies of water adsorption on graphene: The role of the substrate
By T. Wehling, M. Katsnelson, A. Lichtenstein. 2008
309 citations recorded by the source corpus.
We investigate the electronic properties of graphene upon water adsorption and study the influence of the SiO2 substrate in this context using density functional calculations. Perfect suspended graphene is rather insensitive to H2O adsorbates, as doping requires highly oriented H2O clusters. For graphene on a defective SiO2 substrate, we find a strongly different behavior: H2O adsorbates can shift the substrate’s impurity bands and change their hybridization with the graphene bands. In this way, H2O can lead to doping of graphene for much lower adsorbate concentrations than for free hanged graphene. The effect depends strongly on the microscopic substrate properties.
Subfields: Biomedical Engineering, Materials Chemistry, Renewable Energy, Sustainability and the Environment
View Paper: https://www.semanticscholar.org/paper/2d471d315c70b902a23a851d12db648e551b64b7
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In Biomedical Engineering
In Materials Chemistry
Citations in the corpus
- High-quality and efficient transfer of large-area graphene films onto different substrates (2013, unknown): “[26] Wehling TO, Lichtenstein AI, Katsnelson M.”
- Water on graphene: review of recent progress (2018, background): “) calculations show contradictions when different graphene-water systems are considered. Some studies showed that adsorbed water has very little effect on the electronic structure of pristine graphene[59], whereas others demonstrated that different charge transfer between the H 2 O molecule and grap”