Computational study of the staircase molecular conductivity of polyoxovanadates adsorbed on Au(111)dagger

Notario-Estevez Almudena; Lopez Xavier; de Graaf Coen

首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Computational study of the staircase molecular conductivity of polyoxovanadates adsorbed on Au(111)dagger

【24h】

Computational study of the staircase molecular conductivity of polyoxovanadates adsorbed on Au(111)dagger

机译：在Au（111）匕首上吸附的多氧化酯盐的楼梯分子电导率的计算研究

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

This computational study presents the molecular conduction properties of two members of the polyoxovanadate (POV) class of molecules, V6O19 (Lindqvist-type) and V18O42, which have been targeted as possible successors of the materials that are currently used in complementary metal-oxide semiconductor (CMOS) technology. Molecular conductivity calculations on the Lindqvist-type POV absorbed on Au(111) shows a staircase conductivity as function of the applied bias voltage, which is directly related to the oxidation state of the absorbed molecule. After these proof-of-principle calculations we applied the same technique to the larger V18O42, a system featuring many more easily attainable redox states, and hence, in principle even more interesting from the multiple-state resistive (memristive) viewpoint. The calculated transmission strongly suggests that this molecule does not possess staircase conductivity, a fact ascribed to the large number of unpaired electrons in the resting state.

机译：这项计算研究展示了多钒酸盐（POV）类分子中的两个成员V6O19（Lindqvist型）和V18O42的分子传导特性，这两个分子被视为目前用于互补金属氧化物半导体（CMOS）技术的材料的可能继任者。对吸附在Au（111）上的Lindqvist型POV分子电导率的计算表明，其电导率随外加偏压的变化呈阶梯状，与吸附分子的氧化状态直接相关。在这些原理验证计算之后，我们将相同的技术应用于更大的V18O42，这是一个具有更容易获得的氧化还原态的系统，因此，从多态电阻（忆阻）的角度来看，原则上更有趣。计算的透射比强烈地表明，这种分子不具有阶梯导电性，这一事实归因于静止状态下大量的未配对电子。

著录项

来源
《Dalton transactions: An international journal of inorganic chemistry》 |2021年第16期|共12页
作者
Notario-Estevez Almudena; Lopez Xavier; de Graaf Coen;
展开▼
作者单位

Univ Rovira &

Virgili Dept Quim Fis &

Inorgan Marcelli Domingo 1 Tarragona 43007 Spain;

Univ Rovira &

Virgili Dept Quim Fis &

Inorgan Marcelli Domingo 1 Tarragona 43007 Spain;

Univ Rovira &

Virgili Dept Quim Fis &

Inorgan Marcelli Domingo 1 Tarragona 43007 Spain;

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

相似文献

外文文献
中文文献

1. Angular dependent NEXAFS study of the molecular orientation of PTCDA multilayers on Au （111） surface [J] . CAO Liang, ZHANG WenHua, HAN YuYan, 中国科学通报：英文版 . 2011,第033期
2. Two-dimensional Molecular Phase Transition of Alkylated-TDPB on Au(111) and Cu(111) Surfaces [J] . ZHANG Junjie, WANG Can, DUAN Ruomeng, 高等学校化学研究（英文版） . 2020,第004期
3. First-principles study of oxygen adsorbed on Au-doped RuO2(110) surface [J] . Ji Zhang, De-Ming Zhang 中国物理：英文版 . 2019,第011期
4. First-Principles Study of Alkoxides Adsorbed on Au(111) and Au(110) Surfaces: Assessing the Roles of Noncovalent Interactions and Molecular Structures in Catalysis [J] . Kabeer Fairoja Cheenicode, Chen Wei, Madix Robert J., The journal of physical chemistry, C. Nanomaterials and interfaces . 2017,第50期

机译：在Au（111）和Au（110）表面上吸附的醇盐的第一原理研究：评估非共价相互作用和分子结构在催化中的作用
5. Cooperativity and coverage dependent molecular desorption in self-assembled monolayers: computational case study with coronene on Au(111) and HOPG [J] . Chilukuri Bhaskar, Mazur Ursula, Hipps K. W. Physical chemistry chemical physics: PCCP . 2019,第20期

机译：在自组装单层中的合作和覆盖依赖性分子解吸：用核（111）和Hopg的Coronene计算案例研究
6. Computational Study of Amino Mediated Molecular Interaction Evidenced in N 1s NEXAFS: 1,4-Diaminobenzene on Au (111) [J] . Balducci Gabriele, Romeo Michele, Stener Mauro, The journal of physical chemistry, C. Nanomaterials and interfaces . 2015,第4期

机译：N 1s NEXAFS：1,4-二氨基苯在Au（111）上的氨基介导的分子相互作用的计算研究
7. ELECTRICAL CONDUCTIVITY STUDY OF Au AND Na COADSORBED Si(111)√3×√3 SURFACE [C] . D. A. TSUKANOV, D. V. GRUZNEV, A. V. ZOTOV, International Conference on Physics, Chemistry and Applications of Nanostructures . 2013

机译：Au和Na辅作Si（111）√3×3表面的电导率研究
8. Chemisorption studies of oxygen-containing molecules on Au(211), Pt(111) and Sn-modified Pt(111) surfaces. [D] . Kim, Jooho. 2003

机译：Au（211），Pt（111）和Sn修饰的Pt（111）表面上含氧分子的化学吸附研究。
9. Endohedral Fullerene Fe@C28 Adsorbed on Au(111) Surface as a High-Efficiency Spin Filter: A Theoretical Study [O] . Ke Xu, Tie Yang, Yu Feng, 2019

机译：作为高效自旋过滤器吸附在Au（111）表面上的内表面富勒烯Fe @ C28的理论研究
10. First-Principles Study of Alkoxides Adsorbed on Au(111) and Au(110) Surfaces: Assessing the Roles of Noncovalent Interactions and Molecular Structures in Catalysis [O] . Cheenicode Kabeer, F., Chen, W., Madix, R., 2017

机译：吸附在au（111）和au（110）表面上的醇盐的第一性原理研究：评估非共价相互作用和分子结构在催化中的作用
11. Studies of the Surface Structures of Molecular Crystals and of Adsorbed Molecular Monolayers on the (111) Crystal Faces of Platinum and Silver by Low-Energy Electron Diffraction [R] . Firment, L. E. 1977

机译：用低能电子衍射研究铂和银（111）晶面上分子晶体和吸附分子单分子层的表面结构

Computational study of the staircase molecular conductivity of polyoxovanadates adsorbed on Au(111)dagger

摘要

著录项

相似文献

相关主题

期刊订阅