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  #1  
February 6th, 2017, 09:24 AM
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ASE DTU Wulff

Hii sir, I Wants to get the Information About the Atomistic Wulff Constructions for Gold Nanoparticles of the Department of Materials Science and Technology, University of Crete, Greece
  #2  
February 6th, 2017, 10:46 AM
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Join Date: Mar 2012
Re: ASE DTU Wulff

Department of Materials Science and Technology of the University of Crete. Our first students were admitted in 2001 and the department has emerged as an internationally renowned center of teaching and research in materials, a modern, priority field of knowledge.

Atomistic Wulff Constructions for Gold Nanoparticles


First-principles atomistic calculations

Input: Coordinates of the nuclei plus numerical parameters.

Output: equilibrium structure for given external fields, and/or
response functions (usually).

Advantage: Understanding and design of materials at their ultimate
level: elecrtrons and nuclei (or ions).



Nanoparticle sizes at equilibriu
G = U + PV – TS


“Bottom up” synthesis (self-assembly):
Τ→0 favors few big particles (low U).
Τ→∞favors many small particles (high S).
T-dependent size

Similarly, size depends on other synthesis parameters, such as PH,
concentrations, etc.


Atomistic Wulff Constructions for Gold Nanoparticles







For more Details Please Consider the below Attachement that is Free to Download


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