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单层磷化硼纳米结构中的量子等离激元激发
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作者 徐阳 林家和 程新路 《光散射学报》 北大核心 2017年第4期325-331,共7页
基于含时密度泛函理论(TDDFT)研究了单层磷化硼纳米结构中的等离激元激发。单层磷化硼纳米结构中有两个主要的等离激元共振带,一个等离激元共振带位于能量点3eV附近,另一个等离激元共振带位于能量点9eV附近。单层磷化硼纳米结构在光谱... 基于含时密度泛函理论(TDDFT)研究了单层磷化硼纳米结构中的等离激元激发。单层磷化硼纳米结构中有两个主要的等离激元共振带,一个等离激元共振带位于能量点3eV附近,另一个等离激元共振带位于能量点9eV附近。单层磷化硼纳米结构在光谱的可见光区存在等离激元共振。单层磷化硼纳米结构的边界构型(锯齿形边界和扶手椅边界)以及沿着激发光的偏振方向的边界宽度对单层磷化硼纳米结构吸收光谱有很大的影响。单层磷化硼纳米结构中等离激元模式是长程电荷转移激发。 展开更多
关键词 等离激元 单层 磷化硼纳米结构 含时间密度泛函理论
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二维硼单层纳米结构电子输运性质的研究
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作者 王维 《现代信息科技》 2019年第21期48-50,共3页
近年来,新制备出的硼烯备受关注,本文中根据第一性原理,研究将硼烯裁剪成不同形貌的硼烯纳米带时,不同的边缘突起结构尺寸对硼烯纳米带电子输运性质的影响,研究发现,硼烯纳米带在费米面处的能隙与边缘突起结构尺寸的奇偶性密切相关,可... 近年来,新制备出的硼烯备受关注,本文中根据第一性原理,研究将硼烯裁剪成不同形貌的硼烯纳米带时,不同的边缘突起结构尺寸对硼烯纳米带电子输运性质的影响,研究发现,硼烯纳米带在费米面处的能隙与边缘突起结构尺寸的奇偶性密切相关,可以通过调节硼烯纳米带边缘形貌等因素来对输运体系的电子性质进行调控。 展开更多
关键词 硼纳米结构 电子输运 密度泛函理论 自旋电子
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二维硼碳基纳米结构上的吸附及其性质 被引量:2
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作者 林现庆 陈曦 倪军 《计算物理》 CSCD 北大核心 2014年第3期253-270,共18页
综述金属原子与非金属原子和分子在石墨烯、BC3平面等二维硼碳基纳米结构上的吸附所表现出的各种物理性质及可能的应用.纯净的石墨烯为零带隙的半金属、无磁且自旋轨道耦合效应非常弱,BC3平面为间接带隙半导体,但金属原子与非金属原子... 综述金属原子与非金属原子和分子在石墨烯、BC3平面等二维硼碳基纳米结构上的吸附所表现出的各种物理性质及可能的应用.纯净的石墨烯为零带隙的半金属、无磁且自旋轨道耦合效应非常弱,BC3平面为间接带隙半导体,但金属原子与非金属原子和分子的吸附可能使石墨烯体系在Dirac点处打开带隙、具有强自旋轨道耦合效应,可能使石墨烯体系与二维BC3体系具有磁有序、超导电性及应用在氢存储上.另外石墨烯表现出非常好的分子探测性能. 展开更多
关键词 碳基纳米结构 金属原子吸附 非金属原子和分子吸附 吸附稳定性 吸附体系电子结构
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催化剂含量对球磨退火法制备氮化硼纳米管形貌及产率的影响
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作者 李艳娇 秦忠宝 +3 位作者 杜海霞 王力群 刘顾 王龙 《材料工程》 EI CAS CSCD 北大核心 2023年第11期111-119,共9页
以氧化硼、氨气为反应原料,铁粉或镁粉为催化剂,采用球磨退火法制备了氮化硼纳米管,研究铁或镁含量变化对氮化硼纳米管形貌及产率的影响。结果表明:当氧化硼前驱体中不含催化剂时,可获得产率很低、均匀细小的氮化硼纳米管。适量铁可以... 以氧化硼、氨气为反应原料,铁粉或镁粉为催化剂,采用球磨退火法制备了氮化硼纳米管,研究铁或镁含量变化对氮化硼纳米管形貌及产率的影响。结果表明:当氧化硼前驱体中不含催化剂时,可获得产率很低、均匀细小的氮化硼纳米管。适量铁可以起到良好的催化作用,退火后生成大量尺寸均匀的氮化硼纳米管。随着铁含量的增加,产物产率降低,形貌从尺寸均匀的氮化硼纳米管变为长短粗细都不均匀的氮化硼纳米管。当氧化硼与铁含量的摩尔比达到1∶1时,产物产率增加,形貌从表面光滑的氮化硼纳米管变为表面垂直生长大量氮化硼纳米片的珊瑚状氮化硼微纳米结构,其直径也明显增加。镁含量变化只对产物尺寸大小、均匀性及产率有所影响,对形貌没有明显影响。氮化硼纳米管的上述形貌和产率变化规律可以用气-液-固生长机理来解释。 展开更多
关键词 催化剂含量 氮化纳米 珊瑚状氮化纳米结构 球磨退火法 形貌 产率
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硼富勒烯及其相关结构研究进展 被引量:4
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作者 闫清波 胜献雷 +1 位作者 郑庆荣 苏刚 《中国科学:物理学、力学、天文学》 CSCD 北大核心 2011年第1期29-48,共20页
本文对硼富勒烯等硼纳米结构及其相关材料的研究进展进行了简要评述.首先对硼和碳元素及其成键性质的区别与联系进行了讨论,并简要介绍了碳富勒烯、纳米管和石墨烯的发现及其结构与性质.接下来系统回顾了过去几十年来人们对硼团簇、硼... 本文对硼富勒烯等硼纳米结构及其相关材料的研究进展进行了简要评述.首先对硼和碳元素及其成键性质的区别与联系进行了讨论,并简要介绍了碳富勒烯、纳米管和石墨烯的发现及其结构与性质.接下来系统回顾了过去几十年来人们对硼团簇、硼纳米管和硼纳米线等纳米结构在理论和实验研究方面取得的进展.特别是最近几年来,针对硼富勒烯、硼纳米管、硼单层平面、硼富勒烯固体等结构的研究取得了一些重要进展,本文在结合我们自己研究工作的基础上,对上述研究进展做了系统地介绍.最后对硼富勒烯及其相关材料的研究前景进行了展望. 展开更多
关键词 富勒烯 纳米 硼纳米结构 富勒烯固体
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Probing the Electronic Structure of the CoB16- Drum Complex: Unusual Oxidation State of Co-1 被引量:1
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作者 Wan-Lu Li Wan-Lu Lia +4 位作者 Zhi-Yu Jiang Wei-Jia Chen Han-Shi Hu Lai-Sheng Wang Jun Li 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2019年第2期241-247,I0003,共8页
Since the discovery of the first drum-like CoB16- complex, metal-doped drum-like boron nanotubular structures have been investigated with various metal dopants and different tubular size, forming a new class of novel ... Since the discovery of the first drum-like CoB16- complex, metal-doped drum-like boron nanotubular structures have been investigated with various metal dopants and different tubular size, forming a new class of novel nanostructures. The CoB16- cluster was found to be composed of a central Co atom coordinated by two fused B8 rings in a tubular structure, representing the potential embryo of metal-filled boron nanotubes and providing opportunities to design one-dimensional metal-boron nanostructures. Here we report improved photoelectron spectroscopy and a more in-depth electronic structure analysis of CoB16-, providing further insight into the chemical bonding and stability of the drum-like doped boron tubular structures. Most interestingly, we find that the central Co atom has an unusually low oxidation state of ?1 and neutral CoB16 can be viewed as a charge transfer complex (Co-@BB16+), suggesting both covalent and electrostatic interactions between the dopant and the boron drum. 展开更多
关键词 Photoelectron spectroscopy Metal-boron clusters Ab initio calculations Chemical bonding
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Small onion-like BN leads to ultrafine-twinned cubic BN 被引量:2
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作者 Kun Luo Yang Zhang +11 位作者 Dongli Yu Baozhong Li Wentao Hu Yong Liu Yufei Gao Bin Wen Anmin Nie Zhisheng Zhao Bo Xu Xiang-Feng Zhou Yongjun Tian Julong He 《Science China Materials》 SCIE EI CSCD 2019年第8期1169-1176,共8页
Nanotwinned cubic boron nitride(nt-cBN) with remarkable hardness, toughness, and stability has attracted widespread attention due to its distinct scientific and industrial importance. The key for nt-cBN synthesis is t... Nanotwinned cubic boron nitride(nt-cBN) with remarkable hardness, toughness, and stability has attracted widespread attention due to its distinct scientific and industrial importance. The key for nt-cBN synthesis is to adopt an onion-like BN(oBN) nano-precursor and induce phase transition under high pressure. Here, we found that the size change of oBN used greatly affected the mechanical performance of products. With the precursor size decreasing from^320 to 90 nm, the Vickers hardness of nanostructured products improved from 61 to 108 GPa, due to the fact that large oBN nanoparticles possessed more flattened, orderly and graphite-like shell layers, in sharp contrast to the highly wrinkled and imperfect layers in small-diameter nanoparticles, thus resulting in the apparent reduction of ultrafinetwin substructure in the synthetic products. This study reveals that only small oBN precursor could produce complete ultrafine nt-cBN with outstanding performance. A practical route was proposed to further improve the performance of this important material. 展开更多
关键词 onion-like BN nanotwinned cBN size effect HARDNESS high pressure and high temperature
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Development of an ultrahard nanotwinned cBN micro tool for cutting hardened steel 被引量:6
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作者 CHEN Jun Yun JIN Tian Ye TIAN Yong Jun 《Science China(Technological Sciences)》 SCIE EI CAS CSCD 2016年第6期876-881,共6页
Binderless nanotwinned cubic boron nitride(nt-cBN) synthesized from onion-structured BN precursors under high pressure and high temperature shows a very fine microstructure consisting of densely lamellar nanotwins(ave... Binderless nanotwinned cubic boron nitride(nt-cBN) synthesized from onion-structured BN precursors under high pressure and high temperature shows a very fine microstructure consisting of densely lamellar nanotwins(average thickness of 4 nm) within nanograins. The unique nanotwinned microstructure offers high hardness, wear resistance, fracture toughness, and thermal stability which are essential for advanced cBN tool materials. Thus, a circular micro tool of nt-cBN was fabricated using femtosecond laser contour machining followed by focused ion beam precision milling. Thereafter turning tests were performed on hardened steel using the studied micro tool. To evaluate the cutting performance, the machined surface quality and subsurface damage of the hardened steel were characterized. The wear mechanism of the nt-cBN micro tool was also investigated. It is found that the fabricated nt-cBN micro tool can generate high quality surface with surface roughness less than 7 nm and nanograin subsurface of about 500 nm deep. In addition, abrasive wear is found to be the dominant wear mechanism of the nt-cBN micro tool in turning hardened steel. These results indicate that nt-cBN has outstanding potential for ultra-precision cutting hardened steel. 展开更多
关键词 nanotwinned cBN tool fabrication cutting tool micro machining hardened steel
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Electronic structure and optical property of boron doped semiconducting graphene nanoribbons 被引量:2
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作者 CHEN AQing SHAO QingYi +1 位作者 WANG Li DENG Feng 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2011年第8期1438-1442,共5页
We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation ... We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation density, Mulliken popular and optical spectra are considered to show the special electronic structure of boron doped semiconducting graphene nanoribbons. The C-B bond form is discussed in detail. From our analysis it is concluded that the Fermi energy of boron doped semiconducting graphene nanoribbons gets lower than that of intrinsic semiconducting graphene nanoribbons. Our results also show that the boron doped semiconducting graphene nanoribbons behave as p-type semiconducting and that the absorption coefficient of boron doped armchair graphene nanoribbons is generally enhanced between 2.0 eV and 3.3 eV. Therefore, our results have a great significance in developing nano-material for fabricating the nano-photovoltaic devices. 展开更多
关键词 B-doped graphene nanoribbons electronic structure optical property density functional theory
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Structural investigations of a boron carbide nanorod with pseudo-fivefold twinned cross-section
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作者 YU ZhiYang FU Xin ZHU Jing 《Science China(Technological Sciences)》 SCIE EI CAS 2011年第8期2119-2122,共4页
In this article, a detailed investigation of the cross-section structure of a fivefold twinned boron carbide nanorod is presented. TEM observations reveal that the nanorod possesses a remarkable pseudo-fivefold twinne... In this article, a detailed investigation of the cross-section structure of a fivefold twinned boron carbide nanorod is presented. TEM observations reveal that the nanorod possesses a remarkable pseudo-fivefold twinned cross-section which consists of eight subcrystals packing around its fivefold axis. It is proposed that the negative angular mismatch of 5° for the unrelaxed boron carbide nanowires, which arises from the imperfectness of filling five twinned segments into a 360° solid space, is to be accommodated in one single subunit. The nanorod is found to be free from damage during sample preparation and it retains the intrinsic structural distortions of boron carbide nanowires. 展开更多
关键词 boron carbide fivefold twinned angular misfit CHARACTERIZATION
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