N,N-Dimethyl formamide facilitated formation of hexagonal boron nitride from boric acid

In this paper, we report on a promoting novel process for the formation of h-BN plates by using N,N-dimethyl formamide-treated boric acid (DMF-BA). Using this B source, the formation of h-BN can be indeed improved greatly compared to using pure boric acid (BA). This method effectively reduces the content of boric acid and amorphous boric oxide, enhancing the transformation rate of h-BN. For preparation of pure h-BN, it can obviously lower the resultant temperature without further purification process. Via graphitization index (G.I.) calculation and thermostability analysis, the pure h-BN plates obtained from the DMF-BA would be a promising candidate for raw material of c-BN and low-temperature applications in the air.     

h-BN型超晶格等离子体光子晶体能带特性研究

六方氮化硼(h-BN)晶格结构是一种类六方对称复式超晶格结构。具有h-BN晶格构型的光子晶体以其宽光子带隙特点受到国内外学者的广泛关注。本文利用不同尺度低压气体放电管与Al₂O₃介质棒周期性排列,构建了新型h-BN型超晶格等离子体光子晶体,实现其空间结构和等离子体参数的动态调控。利用微波透射谱对比研究了h-BN型超晶格与简单三角晶格等离子体光子晶体禁带位置、宽度和数目。分析了放电电流、介质棒阵列数对不同频段光子带隙的影响,以及电磁波入射角度对电磁传输特性的影响。结果表明：等离子体的引入不仅能够形成新的光子带隙,而且可以选择性地使部分禁带位置发生移动;相对于简单三角晶格,h-BN型超晶格等离子体光子晶体呈现出更多光子带隙;Al₂O₃介质棒阵列数对等离子体光子晶体禁带位置、宽度和数目均具有重要影响。电磁波入射角度变化越大,电磁传输特性差别越显著,透射谱相关性越差。本文所设计的新型h-BN型超晶格等离子体光子晶体为制作可调谐光子晶体提供了新的思路,在微波和太赫兹波控制领域具有潜在应用价值。     

Application of hexagonal boron nitride micropowder for thermoluminescent dosimetry of UV radiation

Thermoluminescence (TL) response of h-BN micropowder, characterized by two peaks near 337 and 584 K, was studied in the 380-nm band after excitation with monochromatic ultraviolet radiation (UVR). On the basis of the obtained results and independent data analysis, assumptions were made on the mechanisms of donor–acceptor recombination with the participation of 1B, O_N, and C_N centers, responsible for the observed thermally activated emission. TL excitation spectra in the 200–380-nm range were analyzed. It was observed that the resolved maxima correspond quite to the characteristic wavelengths of 260 nm (maximum bactericidal efficiency) and 297 nm (maximum skin erythema). It is found that the dose dependence for an integral intensity of high-temperature peak is linear in the suberythemal range of 0.01–0.35 mJ/cm².     

3D-Graphene/Boron Nitride-stacking Material: a Fundamental van der Waals Heterostructure

The 3D periodic graphene/h-BN(G/BN) heterostuctures were studied. The stacking forms between the graphene and h-BN layers were discussed. The varieties of the geometric and electronic configurations at the interface between graphene and h-BN layers were also reported. The metal-semiconductor transform of the G/BN material can be achieved by adjusting the stacking form of the h-BN layers or changing the proportion of graphene layers in the unit cell. An electrostatic potential well was found at the interface. Due to the potential well and the only dispersion correlation at the interface, the dielectric constant ε_zz in vertical direction was independent on the variety of the thickness or the proportion of the compositions in an unit cell.     

First-principles studies of graphene antidot lattices on monolayer h-BN substrate

The structures and electronic structures of hetero bilayers composed of graphene antidot lattice (GAL) on monolayer h-BN substrate are studied in first-principles method. Bond lengths, interlayer distances, flatness, biaxial strain effects, and effects of translating the GAL layer are studied and analyzed in detail. Results show that introducing a monolayer BN substrate makes the zero-bandgap $5\times 5$ GAL open a bandgap up to 28 meV, while it makes the semiconducting $6\times 6$ GAL keep its low-energy electronic structure almost intact except a small bandgap change by tens of meV at most. Our studies demonstrate that h-BN is a promising substrate for GAL.     

六方氮化硼层间气泡制备与压强研究

六方氮化硼(h-BN)具有六角网状晶格结构和高化学机械稳定性,可以用来封装气体并长期保持稳定,适合用作新型信息器件及微纳机电器件的衬底材料,具有巨大的应用前景.近期,科研人员发现氢原子可以无损穿透多层h-BN,在层间形成气泡,可用作微纳机电器件.本文研究了氢等离子体处理时间对h-BN气泡尺寸的影响.发现随着处理时间的延长,气泡尺寸整体变大且分布密集程度会降低.原子力显微镜的测量发现所制备的h-BN气泡具有相似的形貌特征,该特征与h-BN的杨氏模量和层间范德瓦耳斯作用相关.此外,发现微米尺寸气泡的内部压强约为1—2 MPa,纳米尺寸气泡的内部压强可达到GPa量级.     

h‐BN Nanosheets as 2D Substrates to Load 0D Fe3O4 Nanoparticles: A Hybrid Anode Material for Lithium‐Ion Batteries

h‐BN, as an isoelectronic analogue of graphene, has improved thermal mechanical properties. Moreover, the liquid‐phase production of h‐BN is greener since harmful oxidants/reductants are unnecessary. Here we report a novel hybrid architecture by employing h‐BN nanosheets as 2D substrates to load 0D Fe₃O₄ nanoparticles, followed by phenol/formol carbonization to form a carbon coating. The resulting carbon‐encapsulated h‐BN@Fe₃O₄ hybrid architecture exhibits synergistic interactions: 1) The h‐BN nanosheets act as flexible 2D substrates to accommodate the volume change of the Fe₃O₄ nanoparticles; 2) The Fe₃O₄ nanoparticles serve as active materials to contribute to a high specific capacity; and 3) The carbon coating not only protects the hybrid architecture from deformation but also keeps the whole electrode highly conductive. The synergistic interactions translate into significantly enhanced electrochemical performances, laying a basis for the development of superior hybrid anode materials.     

氮化硼纳米片负载Pd(OAc)2催化剂的制备及催化微波辅助Heck反应

以液相超声剥离的氮化硼纳米片(BNNSs)为载体, 通过表面羟基、 氨基、 席夫碱共价功能化后与Pd ²⁺配位, 制备负载型催化剂Pd@BNNSs-Schiff, 并将该催化剂应用于微波辅助的Heck反应. 通过傅里叶红外光谱(FTIR)、 激光拉曼(Raman)光谱、 X射线衍射(XRD)、 同步热分析(TGA)、 X射线光电子能谱(XPS)、 扫描电子显微镜(SEM)、 透射电子显微镜(TEM)和元素分布分析(EDS mapping)对催化剂的结构和形貌进行了表征. 结果表明, 当苯乙烯与碘苯摩尔比为1.25∶1, 溶剂为N,N-二甲基甲酰胺, 缚酸剂为三乙胺, 催化剂Pd用量为0.08%(质量分数)时, 以450 W功率微波辐射20 min收率最高为95.6%; 催化活性明显优于以相同方法制备的催化剂Pd@GO-Schiff(78.3%)(GO=氧化石墨烯); Pd@BNNSs-Schiff循环利用6次后仍具有较高的催化活性,参照催化剂在循环3次后活性明显降低, 7次后失活.     

氧、硫掺杂六方氮化硼单层的第一性原理计算

采用基于密度泛函理论和投影缀加平面波的第一性原理计算方法, 研究了六方氮化硼单层(h-BN)中的氮原子缺陷(V_N)、氧原子取代氮原子(O_N)和硫原子取代氮原子(S_N)时的几何结构、磁性性质和电子结构.研究发现, V_N和O_N体系形变较小, 而S_N体系形变较大; h-BN本身无磁矩, 但具有N缺陷或者掺杂后总磁矩都是1 μ_B; 同时给出了态密度和能带结构.利用掺杂体系的局域对称性和分子轨道理论解释了相关结果, 尤其是杂质能级和磁矩的产生. 关键词： 六方BN单层 第一性原理计算 密度泛函理论 分子轨道理论     

六角氮化硼(h-BN)对单层硒化铟(InSe)的调制效应及这一新结构的电子性质

采用基于密度泛函理论的第一性原理计算和分析了三种InSe/h-BN异质结的结构和电子性质.研究发现InSe/h-BN异质结具有间接带隙特点,并且价带顶和导带底的贡献均来自于InSe,差分电荷密度表明体系中没有明显的电荷交换.通过体系能带结构,我们发现h-BN层对单层InSe有着明显的调控效应.对比纯粹应变调控下单层的InSe的能带结构,发现h-BN对InSe能带结构的调控效应实际上是由InSe和h-BN之间的相互作用而诱导的晶格应变引起的.我们的研究结果表明,单层InSe沉积或生长在不同h-BN片上可以获得不同的晶格应变,实现对单层InSe能带结构的有效调控.