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1 article(s) from Gonçalves, Juliana A

Water in nanoporous hexagonal boron nitride nanosheets: a first-principles study

Juliana A. Gonçalves,
Ronaldo J. C. Batista and
Marcia C. Barbosa

Beilstein J. Nanotechnol. 2025, 16, 510–519, doi:10.3762/bjnano.16.39

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Figure 1: Formation energy, E_f per atom as a function of μ_N, for triangular nanopores as shown below in Figure 3. Fro...

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Figure 2: Rhombic nanopores in free-standing h-BN monolayers. (a) Rhombic pore with B–H and N–H edges. (b) Rh...

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Figure 3: Triangular nanopores in free-standing h-BN monolayers. Triangular pores with (a) B–H and (b) N–H ed...

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Figure 4: Diagram illustrating the various adsorption positions of the water molecule on h-BN nanosheets with...

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Figure 5: Density of states of a system composed of water and rhombic pore (black line), isolated water molec...

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Figure 6: Distances between water molecule atoms and a hydrogen atom at N–H edges, orientations 1–3, and B–N ...

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Figure 7: Illustration of the adsorption position of a water molecule on a h-BN nanosheet with triangular por...

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Published 11 Apr 2025

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