Formation of hexagonal Boron Nitride on Graphene-covered Copper Surfaces
Devashish P. Gopalan, Patrick C. Mende, Sergio C. de la Barrera, Shonali Dhingra, Jun Li, Kehao Zhang, Nicholas A. Simonson, Joshua A. Robinson, Ning Lu, Qingxi… 展开作者
Devashish P. Gopalan, Patrick C. Mende, Sergio C. de la Barrera, Shonali Dhingra, Jun Li, Kehao Zhang, Nicholas A. Simonson, Joshua A. Robinson, Ning Lu, Qingxiao Wang, Moon J. Kim, Brian D'Urso, Randall M. Feenstra
备注：
19 pages, 12 figures; submitted to J. Mater. Res.; v2 adds Fig. 5 and makes some minor modifications to text
Graphene-covered copper surfaces have been exposed to borazine, (BH)3(NH)3, with the resulting surfaces characterized by low-energy electron microscopy. Although the intent of the experiment was to form hexagonal boron nitride (h-BN) on top of the graphene, such layers were not obtained. Rather, in isolated surface areas, h-BN is found to form micrometer-size islands that substitute for the graphene. Additionally, over nearly the entire surface, the properties of the layer that was originally graphene is observed to change in a manner that is consistent with the formation of a mixed h-BN/graphene alloy, i.e. h-BNC alloy. Furthermore, following the deposition of the borazine, a small fraction of the surface is found to consist of bare copper, indicating etching of the overlying graphene. The inability to form h-BN layers on top of graphene is discussed in terms of the catalytic behavior of the underlying copper surface and the decomposition of the borazine on top of the graphene.
We demonstrate single crystal growth of wafer-scale hexagonal boron nitride (hBN), an insulating atomic thin monolayer, on high-symmetry index surface plane Cu(111). The unidirectional epitaxial growth is guaranteed by large binding energy difference, ~0.23 eV, between A- and B-steps edges on Cu(111) docking with B6N7 clusters, confirmed by density functional theory calculations.
Recently, Bafekry et al. [J. Appl. Phys. 130, 114301(2021)] reported their density functional theory (DFT) results on the structural, phonon dispersion, elastic constants and electronic properties of a BCN monolayer. The aforementioned theoretical work however includes erroneous results and discussions, as will be explained in the following.
Molecular dynamics of halogenated graphene - hexagonal boron nitride nanoribbons
石墨烯-六方氮化硼（G-hBN）杂化体系为纳米级电子器件的设计提供了新的途径。利用{ \it ab initio}密度泛函理论计算，我们研究了几个原子间距离宽的锯齿形纳米带的动力学。分析了几种结构，即原始石墨烯、hBN和G-hBN系统。通过用氢和不同的卤素原子钝化纳米晶体边缘，可以调节电子和机械性质，如带隙能量和振动的固有频率。
Few-layer flakes of hexagonal boron nitride were prepared by ultrasonication of bulk crystals and agglomerated to form thin films. The transmission and reflection spectra of the thin films were measured. The spectral dependences of the linear and circular polarization revealed a hidden anisotropy of the films over the whole sample area which could not be explained by the anisotropy of the chaotically-oriented individual particles. Statistical analysis of optical microscopy images showed a macroscopic particle density distribution with ordering corresponding to the optical axis observed in the …
2D ferroelectrics with robust polarization down to atomic thicknesses provide novel building blocks for functional heterostructures. Experimental reports, however, remain scarce because of the requirement of a layered polar crystal. Here, we demonstrate a rational design approach to engineering 2D ferroelectrics from a non-ferroelectric parent compound via employing van der Waals assembly. Parallel-stacked bilayer boron nitride is shown to exhibit out-of-plane electric polarization that reverses depending on the stacking order. The polarization switching is probed via the resistance of an adja…
The current rechargeable battery technologies have a failure in their performance at high pressure and temperature. In this article, we have brought theoretical insights on using boron nitride flakes as a protecting layer for a lithium-ion battery device and extended its application for a spin-dependent photon emission device. Hence, the electronic properties of pristine and lithium-doped hydrogen-edged boron nitride flakes have been studied by the first principle density functional theory calculations. In this study, we have discussed the stability, adsorption energies, bond lengths, electron…
The effect of doping of cubic boron nitride with beryllium, silicon, sulfur and magnesium on the lattice parameters, electrical conductivity and EPR spectra has been studied. It is established that the degree of doping increases significantly in the case of crystallization of cubic boron nitride from BN solutions in supercritical ammonia at 3.9-4.2 GPa and 1100°C in comparison with the conventional synthesis from melts of the Mg-B-N system at 4.2 GPa and 1400°C. Doping with silicon and beryllium results in semiconductor properties of cubic boron nitride.
Graphene nanoribbons are prepared inside boron nitride nanotubes by liquid phase encapsulation and subsequent annealing of 1,2,4-trichlorobenzene. The product is imaged with high resolution transmission electron microscopy, and characterized by optical absorption and Raman spectroscopy. Carbon-containing material is detected inside the boron nitride nanotubes with energy-dispersive x-ray spectroscopy (EDS) and scanning transmission electron microscopy (STEM). The observed structures twist under the electron beam and the characteristic features of nanoribbons appear in the Raman spectra.
Influence of Interface Geometry on Phase Stability and Bandgap Engineering in Boron Nitride substituted Graphene: A Combined First-principles and Monte Carlo Study
Large-area single-crystal surface structures were successfully prepared on Cu(111) substrate with boron deposition, which is critical for prospective applications. However, the proposed borophene structures do not match the scanning tunneling microscopy (STM) results very well, while the proposed copper boride is at odds with the traditional knowledge that ordered copper-rich borides normally do not exist due to small difference in electronegativity and large difference in atomic size. To clarify the controversy and elucidate the formation mechanism of the unexpected copper boride, we conducte…
Length dependent lattice thermal conductivity of single \& multi layered hexagonal boron nitride: A first-principles study using the Callaway-Klemens \& real space super cell methods
Optically addressable spins in materials are important platforms for quantum technologies, such as repeaters and sensors. Identification of such systems in two-dimensional (2d) layered materials offers advantages over their bulk counterparts, as their reduced dimensionality enables more feasible on-chip integration into devices. Here, we report optically detected magnetic resonance (ODMR) from previously identified carbon-related defects in 2d hexagonal boron nitride (hBN). We show that single-defect ODMR contrast can be as strong as 6% and displays a magnetic-field dependence with both positi…
