Understanding the chemical reactivity of 2D materials such as graphene and hexagonal-boron nitride (h-BN) is of fundamental importance for obtaining flexible and tunable materials for devices and electronic applications, as well as for fundamental science to obtain concepts for the chemistry on such materials. The interaction of graphene and h-BN with oxygen and atomic hydrogen will be...
This presentation will review recent progress in applying periodic coupled cluster theories to the study of surfaces and solids. We will briefly discuss methods that reduce the computational cost and accelerate convergence of calculated properties towards the complete basis set as well as thermodynamic limit [1-4]. These recent developments have enabled an increasing number of ab-initio...
Spin and charge correlations are particularly pronounced in nanoscale materials and enable new technologies that harness quantum behavior. Accessing these correlations on their intrinsic length and time scales is an important step towards a microscopic understanding of correlated-electron physics.
We combine scanning tunneling microscopy with pump probe schemes [1] to achieve ultrafast...