Issue 43, 2024

First principles design of two dimensional TiSSe Janus drug delivery system for nitrosourea

Abstract

In this paper, we delved into the exploration of a novel drug delivery platform for nitrosourea, leveraging a Janus-structured two-dimensional material, TiSSe, as the carrier. Our approach was grounded in a comprehensive application of first-principles computational methods. By evaluating the adsorption energies across a spectrum of potential configurations, we demonstrated the favorable attributes of TiSSe as a carrier for nitrosourea. Our in-depth examination of the electronic structure unveiled intriguing insights. The Janus nature of TiSSe imparts distinct adsorption profiles to nitrosourea molecules at the sulfur (S) and selenium (Se) terminated surfaces. This disparity in electronic properties not only facilitates precise detection but also helps the design of more intriguing two-dimensional materials.

Graphical abstract: First principles design of two dimensional TiSSe Janus drug delivery system for nitrosourea

Supplementary files

Article information

Article type
Paper
Submitted
16 Jul 2024
Accepted
10 Sep 2024
First published
03 Oct 2024
This article is Open Access
Creative Commons BY license

RSC Adv., 2024,14, 31433-31438

First principles design of two dimensional TiSSe Janus drug delivery system for nitrosourea

D. Shi, Z. Yan and S. Du, RSC Adv., 2024, 14, 31433 DOI: 10.1039/D4RA05119J

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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