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School of Biological and Chemical Sciences

Modelling of hybrid nanostructures for nanoelectronics and renewable energy applications

Supervisors: Dr Rachel Crespo-Otero and Dr Matteo Palma

Project description

The controlled self-assembly of functional nanostructures is of great interest in the fields of nanoscience and nanotechnology. In particular there is a need for simple strategies for the production of single-molecule optoelectronic devices. In this context, self-assembly strategies can allow us to control the organization of nanostructures of interest for nanoelectronics and renewable energy applications. A theoretical understanding of self-assembly mechanisms at atomic level is very important in the design and rationalization of these processes.

We are looking for a highly motivated student to support their application for a CSC or CONACYT fellowship at Queen Mary University of London, under the supervision of Dr Rachel Crespo-Otero and Dr Matteo Palma. The PhD project will focus on the modelling of nanostructures self-assembly, electron transport and excited states. This theoretical approach will be corroborated by experimental investigations separately conducted in the Palma laboratory in the context of a different but complementary studentship.

Elgibility and applying

A background in computational chemistry, physics and/or materials science is desirable. Students must provide evidence of proficient English language skills. See our entry requirements.

If you want to know more about the project, please contact Dr Rachel Crespo-Otero.


  1. Zhu, J.; McMorrow, J.; Crespo-Otero, R.; Ao, G.; Zheng, M.; Gillin, W. P.; Palma, M.. Solution-processable carbon nanoelectrodes for single-molecule investigations. J. Am. Chem. Soc. 2016, 138, 2905.
  2. Rotkin, S. V.; Snyder, S. E., Theory of Electronic and Optical Properties of DNA–SWNT Hybrids. In Carbon Nanotubes and Related Structures, Wiley-VCH Verlag GmbH & Co.: 2010; pp 23-51.

See also