Electronic Structure Theory

A pathway to creating low-resistance Ohmic contacts at nanoscale has been reported in Advanced Materials this week; a development
By introducing individual silicon atom ‘defects’ using a scanning tunnelling microscope, scientists at the London Centre...
Novel flexible, lightweight and low cost “plastic” electronics, including OLEDs and organic solar cells, rely on semiconducting...
Traditionally, phosphorus and arsenic atoms have been used as donors in silicon, donating electrons that make up the current that

Z. Xiao Guo

Prof Guo’s research interest focuses on multiscale simulations and syntheses of materials and nanostructures for applications in clean energy and healthcare technologies, particularly in hydrogen storage, carbon capture, energy catalysis, biofuel cells and biointerfaces. Fundamental theories are coupled with ab initio, molecular dynamics, cellular automata and finite element simulations for materials discovery, while selected materials are synthesised and harnessed by mechanochemical, self-assembly, deposition and precipitation methods.

 

The dynamic self-assembly of atoms and molecules into low-dimensional structures has been vigorously pursued for several decades:
When water binds to solid surfaces it forms a large variety of structures, which leads to behaviour relevant to many technological
In a collaborative work between the LCN, University of York and the National Renewable Energy Laboratory, scientists have discover
A research collaboration including Dario Alfè and Dr. Monica Pozzo of the LCN and Thomas Young Centre at UCL have successfully...
Ice exhibits a phenomenon known as pre-melting which was first alluded to by Michael Faraday in his ‘regelation' experiments...
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