Pickard, C. J.; Salamat, A.; Bojdys, M. J.; Needs, R. J.; McMillan, P. F. Physical Review B 2016, 94, 094104, DOI: 10.1103/PhysRevB.94.094104, arXiv:1605.02893.
We used ab initio random structure searching (AIRSS) to investigate polymorphism in C3N4 carbon nitride as a function of pressure. Our calculations reveal new framework structures, including a particularly stable chiral polymorph of space group P43212 containing mixed sp2 and sp3-bonding, that we have produced experimentally and recovered to ambient conditions. As pressure is increased a sequence of structures with fully sp3-bonded C atoms and three-fold coordinated N atoms is predicted, culminating in a dense Pnma phase above 250 GPa. Beyond 650 GPa we find that C3N4 becomes unstable to decomposition into diamond and pyrite-structured CN2.
DOI: 10.1103/PhysRevB.94.094104, arXiv:1605.02893
Cooper, A. I. and Bojdys, M. J. (2016). Two-dimensional carbon nitride material and method of preparation. WO2016027042 (A1).
Graphitic carbon nitride has been prepared and its structure confirmed by extensive characterization. This material has useful electronic, in particular semiconducting, properties. Crystalline thin films have been prepared. Synthesis may be carried out by condensation of unsaturated carbon- and nitrogen- containing compound(s) in inert solvent such as a salt melt, forming graphitic carbon nitride at a gas-liquid or solid-liquid interface.
External Links: Patentscope, Espacenet, Google Patents
“Michael J. Bojdys, head of the Functional Nanomaterials group at the Charles University in Prague, describes a class of [graphene-]analogous, two-dimensional sheets made from a mix of carbon and nitrogen that are here to complement the one property that the wonder material graphene has not: a useful electronic band gap.” – Dr Mara Staffilani
MaterialsViews 2016. [Link]
Highlight for the article: Bojdys,* M. J. Macromolecular Chemistry and Physics 2016, 217, 232–241. [DOI: 10.1002/macp.201500312]
Materials chemist Dr. Michael J. Bojdys received the junior grant of Czech Science Foundation (GA ČR) to promote the project “Crystalline fully-aromatic materials (CAMs)” over the next three years. The proposed materials will be tried and tested in applications such as heterogeneous catalysis, Li-ion batteries and gas sensors, as well as other industrially relevant applications.
Baumgartner, B.; Bojdys, M. J.; Skrinjar, P.; Unterlass,* M. M. Macromolecular Chemistry and Physics 2015, DOI: 10.1002/macp.201500287.
Hydrothermal polymerization, a benign synthesis for aromatic polyimides, is studied in detail to gain greater insight in the ongoing mechanisms. By performing an extensive set of experiments at various parameters, polyimides of outstanding crystallinity are obtained and could thus refine their crystal structure from powder XRD data. Initial condensation intermediates could isolate, which indicates that HTP is mechanistically closely related to classical step-growth polycondensations.
This is the pre-peer reviewed version of the following article: Baumgartner, B.; Bojdys, M. J.; Skrinjar, P.; Unterlass,* M. M. Macromolecular Chemistry and Physics 2015, DOI: 10.1002/macp.201500287, which has been published in final form at [DOI: 10.1002/macp.201500287].
Bojdys,* M. J. Macromolecular Chemistry and Physics 2015, DOI: 10.1002/macp.201500312.
As of 2015, the number of mobile phone subscriptions outstrips Earth’s human population. Critical raw materials (CRMs) and silicon, won in energy intensive refinement make up the electronics in all these devices. While graphene still has to deliver on its potential in electronic applications, we look to 2D polymer materials that go beyond silicon and graphene.
This is the pre-peer reviewed version of the following article: Bojdys,* M. J. Macromolecular Chemistry and Physics 2015, DOI: 10.1002/macp.201500312, which has been published in final form at [DOI: 10.1002/macp.201500312].
For the second time in recent years the European Research Council (ERC) has awarded one of the prestigious ERC Starting Grants to a scientist of the Department of Organic Chemistry at the Charles University in Prague. Materials chemist Dr. Michael J. Bojdys received this grant endowed with up to 1.5 Million Euro to promote basic research on “functional nanomaterials beyond graphene” over the next five years. Function and structure of these organic materials beyond graphene can provide opportunities for designing new generations of electronic devices such as field-effect transistors, gas sensors etc.
PhD position in polymer chemistry (m/f) [Link]
EURAXESS Job ID 34032457 [Link]
Postdoctoral fellow in Functional Nanomaterials (m/f)
EURAXESS Job ID 34010999 [Link]