3D graphical modeling helps in visualizing the atomic structure of quantum dots

Precise visualization adds much to understanding the objects studied. In particular, it allows the researcher to predict the properties of the nano-objects that are to be synthesized and decrease the number of time-consuming syntheses that are necessary for the final result. Comprehensible, graphic explanation of the strategy of nanomaterial fabrication attracts particular attention of both high-school students contemplating their future and young scientists either choosing their scientific career or presenting their research projects when submitting for Russian or international grants.

Researchers of the Nanochemistry Group have mastered combining computational structural models of single quantum dots with 3D chemical modeling software. This technique has been successfully adapted for simulating the properties of quantum dots of different compositions (CdSe, CdTe, etc.), which is expected to serve as a basis for modeling new generations of nanostructures.

One of images obtained in this way has been included in the paper Basic Principles and Current Trends in Colloidal Synthesis of Highly Luminescent Semiconductor Nanocrystals by Pavel Samokhvalov, Mikhail Artemyev, and Igor Nabiev published in the Chemistry – A European Journal (19(5), 1534–1546). The journal's editors have chosen this image as a front picture for the paper.


Pavel Samokhvalov, PhD, senior researcher (p.samokhvalov@gmail.com)

Laboratory of Nano-Bioengineering, Moscow Engineering Physics Institute, 31 Kashirskoe shosse, 115409 Moscow, Russian Federation


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