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I am Dr. Divya Srivastava, and I hail from Allahabad, which is also known as Prayag. It is, a city in Uttar-Pradesh, India known for its rich history and cultural significance. The Yajurveda, one of the four Vedas of Hinduism, is believed to have been composed in Allahabad.

Position:

Post-doctoral Researcher

University of Turku, Finland                                                                                                        

 Area of Research:

I specialize in Computational Condensed Matter Physics, where I employ First-principles calculations based on Density Functional Theory (DFT) to delve into the intricate behaviors of materials. My research focus centers on the exploration of Celluose, organic-inorganic hybrid materials and inorganic bulk. 

One of my specific projects involved pristine and nitrogen-doped carbon nanotubes. By introducing hetero atoms like nitrogen (N) into carbon nanotubes, we can significantly alter their electronic properties. Nitrogen, having a similar atomic radius to carbon (C), is an ideal substitutional impurity. However, N brings an extra electron to the mix, contributing additional charge carriers to the conduction band. This transformation turns nitrogen-doped carbon nanotubes into either metallic or narrow energy-gap semiconductors. My research delves into the dissociation of oxygen on nitrogen-doped carbon nanotubes, examining both substitutional and pyridinic-like N-doped single-walled carbon nanotubes.

In addition to these research efforts, I am currently actively involved in a project focused on generating a force field using machine learning techniques in conjunction with VASP (Vienna Ab initio Simulation Package). This exciting endeavor aims to develop a highly accurate and efficient force field model that can be used for materials simulations.

Publications:

‪‪‪Divya Srivastava‬ - ‪Google Scholar‬