Irradiation-driven chemistry is vital to modern nanotechnology, notably in methods like focused electron beam deposition (FEBID) and extreme ultraviolet lithography (EUVL). These techniques revolutionize nanofabrication by enabling precise nanostructure creation at the nanometer scale, catering to fundamental research and practical applications. They address a persistent challenge in electronics manufacturing by facilitating the production of increasingly smaller structures. Additionally, irradiation chemistry is significant in nuclear waste decomposition technologies and medical radiotherapies.
Our research group specializes in computational studies of these processes, particularly emphasizing understanding FEBID. FEBID is a promising technology for crafting high-resolution surface nanostructures, potentially surpassing traditional nanolithographic methods. While previous simulations using methods like Monte Carlo and diffusion theories provided insights into the average characteristics of these processes, they needed more detailed molecular-level insights into the structure of the formed materials. In contrast, our Irradiation Driven Molecular Dynamics (IDMD) approach aims to comprehensively depict nanostructure formation during FEBID under focused electron beam irradiation. This approach considers intricate quantum and chemical transformations within the adsorbed molecular system, providing a more precise understanding of the underlying mechanisms. However, given the inherent complexities and assumptions in computational models, we ensure the reliability of our findings by validating our simulations against experimental data, enabling us to confirm the accuracy of our computational predictions.