Structural Transformations in CdSe Nanoparticles: Density Functional Theory Approach

被引：8

作者：

Misra, G. ^{[1
]}

Goyal, M. ^{[2
]}

Tenguria, S. ^{[1
]}

Tripathi, P. ^{[3
]}

机构：

[1] Dr BR Ambedkar Univ, Agra Coll, Dept Phys, Agra 282004, Uttar Pradesh, India

[2] GLA Inst Technol & Management, Dept Appl Sci & Humanities, Mathura 281406, India

[3] St Pauls Church Coll, Dept Phys, Agra 282003, Uttar Pradesh, India

来源：

JOURNAL OF BIOMEDICAL NANOTECHNOLOGY | 2011年 / 7卷 / 01期

关键词：

DFT; Structural Transformation; CdSe; Medicine; Human Health; SOLID PHASE-TRANSITION; PRESSURE DERIVATIVES; RAMAN-SCATTERING; CUPROUS HALIDES; BULK MODULUS; NANOCRYSTALS;

D O I：

10.1166/jbn.2011.1263

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

This paper addresses the multidimensional effects related with structural transformations of CdSe nanoparticles to human health and environment. The nanoparticles do undergo a wurtzite to rock salt transition that is analogous to that observed in bulk CdSe, it was observed that the limited extent of the crystallites affects both the thermodynamics and kinetics of the transition. The study reveals that the nanoparticles if suitably modified can be useful for biomedical applications.

引用

页码：191 / 192

页数：2

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