Work function and Young's modulus of platinum nanotubes: Density functional study

被引：2

作者：

Das, Monoj ^{[1
]}

Mukherjee, Prajna ^{[1
,2
]}

Konar, Shyamal ^{[1
]}

Gupta, Bikash C. ^{[1
]}

机构：

[1] Visva Bharati, Dept Phys, Bolpur 731235, W Bengal, India

[2] Bolpur Coll, Dept Phys, Bolpur 731204, W Bengal, India

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2013年 / 250卷 / 08期

关键词：

chirality; DFT; metal nanotubes; work function; Young's modulus; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; ELASTIC PROPERTIES; CARBON NANOTUBES; GOLD; NANOPARTICLES; OXYGEN;

D O I：

10.1002/pssb.201248594

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using density functional theory we have calculated work function and Young's modulus of various platinum nanotubes. On the average, work functions of achiral platinum nanotubes increase with increasing diameter and those of chiral nanotubes are found to increase with increasing chirality. This study also finds that Young's modulus of single wall platinum nanotubes increase with increasing diameter and approaches a saturation value in the higher diameter region. Reasons behind such observations are explained.

引用

页码：1519 / 1525

页数：7

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