Johan M. Carlsson

A metal-free polymeric photocatalyst for hydrogen production from water under visible light

The production of hydrogen from water using a catalyst and solar energy is an ideal future energy source, independent of fossil reserves. For an economical use of water and solar energy, catalysts that are sufficiently efficient, stable, inexpensive and capable of harvesting light are required. Here, we show that an abundant material, polymeric carbon nitride, can produce hydrogen from water under visible-light irradiation in the presence of a sacrificial donor. Contrary to other conducting polymer semiconductors, carbon nitride is chemically and thermally stable and does not rely on complicated device manufacturing. The results represent an important first step towards photosynthesis in general where artificial conjugated polymer semiconductors can be used as energy transducers.

Influence of 0001 tilt grain boundaries on the destruction of the quantum Hall effect in graphene

The reason why the half-integer quantum Hall effect (QHE) is suppressed in graphene grown by chemical vapor deposition (CVD) is unclear. We propose that it might be connected to extended defects in the material and present results for the quantum Hall effect in graphene with [0001] tilt grain boundaries connecting opposite sides of Hall bar devices. Such grain boundaries contain 5-7 ring complexes that host defect states that hybridize to form bands with varying degree of metallicity depending on grain boundary defect density. In a magnetic field, edge states on opposite sides of the Hall bar can be connected by the defect states along the grain boundary. This destroys Hall resistance quantization and leads to non-zero longitudinal resistance. Anderson disorder can partly recover quantization, where current instead flows along returning paths along the grain boundary depending on defect density in the grain boundary and on disorder strength. Since grain sizes in graphene made by chemical vapor deposition are usually small, this may help explain why the quantum Hall effect is usually poorly developed in devices made of this material.

Curvature effects on vacancies in nanotubes

Vacancies have a strong impact on the properties of nanotubes. We have therefore performed density‐functional calculations for achiral single‐wall nanotubes(CNTs) with single vacancies. Our calculations show that the curvature in the CNTs facilitates the relaxation leading to a local contraction. The vacancies prefer to align along the tube axis and the formation energy decrease with increasing curvature. The local magnetic moment at the vacancy disappears and the local charging decreases as the diameter of the nanotube gets smaller.