Photocatalysis in 2D Materials Science

Dear Colleagues,

In the era of exotic physics and chemistry research, using materials with lower dimensionality can widen the scope of many applications, with no need to mention the scope of photocatalytic efficiency. The choice of the two-dimensional (2D) ultrathin layers of the materials, which are either exfoliated from chemical and/or physical routes or otherwise synthesized via experimental and/or computer based simulations, has become one of the major factors for enhanced photocatalytic performance due to increased surface-to-volume ratio in contrast to the bulk phase. Nevertheless, the tuning of photocatalytic efficiency needs a better understanding of the fundamental ingredients from materials, i.e., band-gap (optical, electronic), redox positions of HOMO (highest occupied molecular orbital) and LUMO (Lowest unoccupied molecular orbital) and life-time of the photo-excited charge carriers (excitons, trions) are generally known to be key factors. This will be exposed with more details and fundamental understanding in 2D structural limit of the materials. 

However, the major goals of this Special Issue apply not only to the materials with 2D geometry for superior photocatalytic performance, but also, at the very basic fundamental level of understanding, to corroborate why it is so. More explicitly, we are looking for papers on how photocatalytic performance is impacted by the role of the band-gap nature which changes from the bulk to 2D layer geometry as well as materials with strong 2D in character, i.e., properties and geometry, are independent on layer thickness or stacking; as well as papers on how the nature of the 2D materials influences the redox alignment and life-time of photoexcited charge particles going from the bulk to 2D layers morphology, either pristine or heterostructure. As far as heterogeneous photocatalysis is concerned, the 2D ultrathin layers with the Janus nature would add another feather in the cap. We hope the current issue will shed more light on 2D materials science domain by speculating on properties that will enhance photocatalytic efficiency and applications of 2D materials for better use.

I am pleased to invite you to submit your novel and original thoughts in the above domain in the form of research and review articles to the current Special Issue, entitled “Photocatalysis in 2D Materials Science.” I will make my best effort to help guide you as the Guest Editor for this issue.

Thank you very much.

Dr. Tilak Das
Dr. Dhanya Puthusseri
Guest Editors

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• Photocatalysis
• 2D Materials
• Heterostructure
• band-gap
• Redox
• Optical band- gap
• First-principles Calculations
• Density Functional Theory
• Janus
• Exciton
• Trions
• Computational Materials Science