Enhancement of piezoelectric and flexoelectric response of boron nitride sheet superlattices via interface and defect engineering

Kundalwal, S. I.; Choyal, Vijay; Nevhal, S. K.; Luhadiya, Nitin

doi:10.1016/j.physe.2020.114563

Cited by 16 publications

(5 citation statements)

References 61 publications

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“…That suggests that there are other effects that enhance the anomalous phonon energy behaviour. Such an effect could be the piezoelectric response of boron nitride which is observed for different phases of sp 2 -BN [42][43][44]. Such non-centrosymetric phases, which exhibit piezoelectricity, are present in epitaxial boron nitride layers [21].…”

Section: Resultsmentioning

confidence: 99%

Temperature induced giant shift of phonon energy in epitaxial boron nitride layers

Iwański¹,

Tatarczak²,

Tokarczyk³

et al. 2022

Preprint

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The recent progress in the growth of large-area boron nitride epilayers opens up new possibilities for future applications. However, it remains largely unclear how weakly attached two-dimensional BN layers interact with their substrate and how their properties are influenced by defects. In this work, we investigate hBN layers grown by Metal Organic Vapor Phase Epitaxy (MOVPE) using Fourier-transform Infrared (FTIR) spectroscopy in the temperature range of 160-540 K. Our measurements reveal strong differences in the character of layer-substrate interaction for as-grown and delaminated epitaxial layers. A much weaker interaction of as-grown layers is explained by wrinkles formation that reduces strain at the layer-substrate interface, which for layers transferred to other substrates occurs only in a limited temperature range. The most striking result is the observation of a giant increase in the E1u phonon energy of up to ∼ 6 cm −1 in a narrow temperature range. We show that the amplitude and temperature range of the anomaly is strongly modified by UV light illumination. The observed giant effect is explained in terms of strain generation resulting from charge redistribution between shallow traps and different defects, which can be interpreted as a result of strong electron-phonon coupling in hBN. The observed narrow temperature range of the anomaly indicates that the effect may be further enhanced for example by electrostrictive effects, expected for sp 2 boron nitride.

show abstract

Section: Resultsmentioning

confidence: 99%

Temperature induced giant shift of phonon energy in epitaxial boron nitride layers

Iwański¹,

Tatarczak²,

Tokarczyk³

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

“…To accurately perform MDS of hydrogen adsorption on PGs decorated with Ti atoms, the interatomic interactions of PGs atoms are described using the Tersoff potential [49], which was applied successfully in previous studies [50,51]. The interactions between carbon atoms of PGs and Ti atoms are described using the Lennard-Jones (LJ) 12-6 potential.…”

Section: Methodsmentioning

confidence: 99%

Adsorption and desorption behavior of titanium-decorated polycrystalline graphene toward hydrogen storage: a molecular dynamics study

2021

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The hydrogen adsorption and desorption capacity of polycrystalline graphene sheets (PGs) with and without titanium (Ti) decoration is investigated using molecular dynamics simulations. Interatomic interactions of PGs are modeled using Tersoff potential, and the remainder of interactions are calculated via Lennard-Jones potential. The effect of grain size and Ti concentration on the mechanical properties and hydrogen adsorption capacity of PGs is studied. The presence of grain boundaries in PGs reduces their mechanical properties, while the decoration of Ti adatoms does not significantly alter the mechanical properties of PGs. PGs showed a ~ 57% increase in the gravimetric density of H 2 at 300 K and 50 bar compared to the pristine graphene sheet. At 100 bar pressure, PGs with 1% Ti concentration achieved a gravimetric density of 9.9 wt.% and 3.2 wt.% at 77 and 300 K, respectively. In Ti-decorated PGs, the desorption curve follows the same path at 300 K as the adsorption curve with increasing Ti concentration, and the desorption curve diverges from the adsorption curve after 1.5% Ti concentration at 77 K. The potential use of the isosteric enthalpy of adsorption to determine the adsorbent's capability for adsorbing H 2 molecules is also discussed.

show abstract

“…That suggests that there are other effects that enhance the anomalous phonon energy behavior. Such an effect could be the piezoelectric response of boron nitride which is observed for different phases of sp 2 -BN [42][43][44]. Such noncentrosymetric phases, which exhibit piezoelectricity, are present in epitaxial boron nitride layers [21].…”

Section: ( ) ( )mentioning

confidence: 99%

Temperature induced giant shift of phonon energy in epitaxial boron nitride layers

et al. 2022

View full text Add to dashboard Cite

The recent progress in the growth of large-area boron nitride epilayers opens up new possibilities for future applications. However, it remains largely unclear how weakly attached two-dimensional BN layers interact with their substrate and how their properties are influenced by defects. In this work, we investigate hBN layers grown by Metal Organic Vapor Phase Epitaxy (MOVPE) using Fourier-transform Infrared (FTIR) spectroscopy in the temperature range of 160-540 K. Our measurements reveal strong differences in the character of layer-substrate interaction for as-grown and delaminated epitaxial layers. A much weaker interaction of as-grown layers is explained by wrinkles formation that reduces strain at the layer-substrate interface, which for layers transferred to other substrates occurs only in a limited temperature range. The most striking result is the observation of a giant increase in the E1u phonon energy of up to ∼ 6 cm−1 in a narrow temperature range. We show that the amplitude and temperature range of the anomaly is strongly modified by UV light illumination. The observed giant effect is explained in terms of strain generation resulting from charge redistribution between shallow traps and different defects, which can be interpreted as a result of strong electron-phonon coupling in hBN. The observed narrow temperature range of the anomaly indicates that the effect may be further enhanced for example by electrostrictive effects, expected for sp2 boron nitride.

show abstract

Enhancement of piezoelectric and flexoelectric response of boron nitride sheet superlattices via interface and defect engineering

Cited by 16 publications

References 61 publications

Temperature induced giant shift of phonon energy in epitaxial boron nitride layers

Temperature induced giant shift of phonon energy in epitaxial boron nitride layers

Adsorption and desorption behavior of titanium-decorated polycrystalline graphene toward hydrogen storage: a molecular dynamics study

Temperature induced giant shift of phonon energy in epitaxial boron nitride layers

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