1.Oxidation effects of 2D-materials

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Presentation transcript:

1.Oxidation effects of 2D-materials

Why is this important? 2D materials are a promising technology Fundamental knowledge Oxygen alters electrical properties Production steps with oxygen

Two main groups Transition Metal DiChalcogenides (TMDCs) MX2 - (M = Mo, Nb, Hf) – (X = S, Se, Te) Semiconductivity and even superconductivity in some Band gap allows for use in FETs and many other applications Oxidation decreases conductivity Graphene Started the adventure for 2D-materials Two dimensional carbon in honeycomb structure When oxidized it becomes graphene oxide (GO) Might want to oxidize it

Effects of oxygen on TMDCs MoS2 has indirect band gap of 1.23eV in bulk Direct band gap of 1.8eV as a monolayer Vacancies causes ‘doping’ The Chalcogen is most likely to be vacant (except SnS) n-doped Oxygen removes gap states

Effects of oxygen on TMDCs MoS2 has indirect band gap of 1.23eV in bulk Direct band gap of 1.8eV as a monolayer Vacancies causes ‘doping’ The Chalcogen is most likely to be vacant (except SnS) n-doped Oxygen removes gap states

Effects of oxygen on TMDCs MoS2 has indirect band gap of 1.23eV in bulk Direct band gap of 1.8eV as a monolayer Vacancies causes ‘doping’ The Chalcogen is most likely to be vacant (except SnS) n-doped Oxygen removes gap states

Oxygen reactivity O2, H2O, O* and OH- DFT - ΔG(p,T) = ΔH(p,T)-TΔS, T = 0k Chemical potential Vacancies increase reactivity MX2 + H2O -> MX2(O) + H2 MX2 + O2 -> MX2(O) + ½ O2 MX2 + O* -> MX2(O)

Healing and prevention The use of strongly reducing agents such as H2S, H2Se, H2Te can heal oxidation It is better to prevent oxidation A full recovery is thought impossible

Effects of oxygen on graphene Graphene oxide Creates tuneable band gap Becomes hydrophillic Flake size can also be tuned Makes it usefull for electronics as a material for electronics, clean energy devices, biology and medicine

How do we make it happen? Modified Hummers method – NaNO3, KMnO4 and H2SO4 Hummers method creates a high amount of defects Functional groups Rapid thermal annealing used to reduce graphene oxide

Final words Still many things to be researched Production Prevention Application Fundamental physics and chemistry The effects of oxidation depends on the material The interested listener could check out black posphorus (posphene) Thank you.,. Ü

Sources - J. Mater. Chem. A, 2019,7, 4291-4312 Phys. Chem. Chem. Phys., 2019,21, 1089-1099 Procedia Engineering, 2017, 184, 439-477