Stable global tubular boron clusters in Na2B18 and Na2B18-

Dong Xue; Das Anita; Liang Wei-yan; Wang Meng-hui; Cui Zhong-hua

首页> 外文期刊>RSC Advances >Stable global tubular boron clusters in Na2B18 and Na2B18-

【24h】

Stable global tubular boron clusters in Na2B18 and Na2B18-

机译：Na2b18和Na2b18中稳定的全球管状硼簇

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The electron deficiency and strong bonding capacity of boron have created numerous species with unusual structural and electronic properties in the form of pure and hetero-atom doped boron clusters. Here we identified D-9d-symmetry Na2B18 and Na2B18- tubular boron clusters as global minima, whose stability is significantly enhanced by two doped sodium atoms. The doped Na atoms trigger strong charge transfer from Na to the boron motifs, resulting in salt complexes (Na22+B182- and Na22+B183-). In particular, the optimal electrostatic interactions arising from the doping effect play a crucial role in stabilizing the tubular structure against the planar and quasi-planar preferences of the negatively charged boron clusters.

机译：硼的电子缺陷和强键合能力创造了许多物种，具有纯和异原子掺杂硼簇的形式具有不寻常的结构和电子性质。在这里，我们将D-9D对称Na2b18和Na2b18-管状硼簇作为全局最小值确定，其稳定性由两个掺杂的钠原子显着增强。掺杂的Na原子引发从Na到硼图案的强电荷转移，导致盐配合物（Na22 + B182-和Na22 + B183-）。特别地，由掺杂效果产生的最佳静电相互作用在稳定管状结构抵抗带负电荷的硼簇的平面和准平面偏好方面起着至关重要的作用。

著录项

来源
《RSC Advances》 |2019年第8期|共6页
作者
Dong Xue; Das Anita; Liang Wei-yan; Wang Meng-hui; Cui Zhong-hua;
展开▼
作者单位

Jilin Univ Jilin Prov Key Lab Appl Atom &

Mol Spect Inst Atom &

Mol Phys Changchun Jilin Peoples R China;

Indian Inst Engn Sci &

Technol Dept Chem Sibpur Howrah India;

Jilin Univ Jilin Prov Key Lab Appl Atom &

Mol Spect Inst Atom &

Mol Phys Changchun Jilin Peoples R China;

Jilin Univ Jilin Prov Key Lab Appl Atom &

Mol Spect Inst Atom &

Mol Phys Changchun Jilin Peoples R China;

Jilin Univ Jilin Prov Key Lab Appl Atom &

Mol Spect Inst Atom &

Mol Phys Changchun Jilin Peoples R China;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类化学;
关键词

相似文献

外文文献
中文文献
专利

1. Stable global tubular boron clusters in Na2B18 and Na2B18- [J] . Dong Xue, Das Anita, Liang Wei-yan, RSC Advances . 2019,第8期

机译：Na2b18和Na2b18中稳定的全球管状硼簇
2. Double-ring tubular (B2O2)(n) clusters (n=6-42) rolled up from the most stable BO double-chain ribbon in boron monoxides [J] . Tian Wen-Juan, Tian Xin-Xin, Mu Yue-Wen, Physical chemistry chemical physics: PCCP . 2017,第34期

机译：双环管状（B2O2）（n）簇（n = 6-42）从硼一氧化硼中最稳定的BO双链丝带卷起
3. Structural and electronic properties of MB22- (M = Na, K) clusters: tubular boron versus quasi-planar boron forms [J] . Liang Wei-yan, Das Anita, Dong Xue, New Journal of Chemistry . 2019,第17期

机译：MB22-（M = Na，K）集群的结构和电子性质：管状硼与准平面硼形成
4. A state-space view on locally-stable, globally-unstable nonlinear models driven by Gaussian burst inputs [C] . Vanbeylen Laurent, Van Mulders Anne, Schoukens Johan Decision and Control and European Control Conference (CDC-ECC), 2011 50th IEEE Conference on . 2011

机译：高斯脉冲输入驱动的局部稳定，全局不稳定非线性模型的状态空间视图
5. Theoretical studies on physical and chemical properties of tubular nanostructures of boron, boron nitride, gold and zinc oxide. [D] . An, Wei. 2008

机译：硼，氮化硼，金和氧化锌管状纳米结构的物理和化学性质的理论研究。
6. From the Cover: Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes [O] . Boggavarapu Kiran, Satya Bulusu, Hua-Jin Zhai, 2005

机译：从封面开始：硼簇中平面到管状的结构转变：B20作为单壁硼纳米管的胚
7. Stable global tubular boron clusters in Na2B18 and Na2B18− [O] . Xue Dong, Anita Das, Wei-yan Liang, 2019

机译：Na2b18和Na2b18中稳定的全球管状硼簇

Stable global tubular boron clusters in Na2B18 and Na2B18-

摘要

著录项

相似文献

相关主题

期刊订阅