New insights into evidence of a new phase of coal-based carbon solids

Researchers at Ohio University have presented evidence of a new carbon solid called “amorphous graphite” this week as the world’s need for carbon-based materials such as graphite grows.

New insights into evidence of a new phase of coal-based carbon solids.
(Left side of table, front to back) Prominent professor of physics David Drabold, Professor Russ of engineering Jason Trembly; (Right side of table, front to back) PhD students Rajendra Thapa, Kishor Nepal, Chinonso Ugwumadu. Image Credit: Ohio University.

“”Is it possible to make graphite from coal?Asked physicist David Drabold and engineer Jason Trembly.

Researchers have stated in their research:Graphite is an important carbon material with many uses. The fast-growing application of graphite is the battery anode of lithium-ion batteries, which is of great importance to the electric vehicle industry. The Tesla Model S requires an average of 54 kg of graphite. Such electrodes are best suited if they are made of pure carbon material, which is difficult to obtain due to the surge in technical demand.Amorphous graphite ab initio simulation.. “

This study was published in a journal Physical review letter..

Their efforts abinitio, This means “from the beginning” and aims to find new ways to synthesize graphite from naturally occurring carbonaceous materials. As a result of various calculations, researchers have discovered a layered material that occurs at very high temperatures (about 3000 ° K).

Due to the formation of electron gas between them, the layers stick to each other, but they are not the exact hexagonal layers that make up the ideal graphene. There are many hexagons in this new material, but there are also pentagons and heptagons. The electrical conductivity of the new material is lower than graphene due to ring turbulence, but still higher in the hexagon-dominated region.

Not all hexagons

In chemistry, the process of converting a carbonaceous material into a layered graphite structure by heat treatment at high temperatures is called graphitization.In this letter, from ab initio and machine learning molecular dynamics simulations, the overwhelming tendency for pure carbon networks to transform into layered structures in a window of considerable density and temperature, where layering occurs even in random starting configurations. Shows that there is..

David Drabolt, a prominent professor of physics and astronomy, Faculty of Arts and Sciences, Ohio University

“”The flat layer is amorphous graphene. Topologically disordered tri-coordinated carbon atoms arranged in the pentagonal, hexagonal, and heptagonal planes of carbon... Since this stage is topologically chaotic, the usual “stacking registry” of graphite is only statistically respected.“Drabolt said.

Drabolt also explains:Layering is observed without van der Waals corrections for density general function (LDA and PBE) forces, explaining the formation of delocalized electron gases in the gallery (voids between planes), and the aggregation between planes is this. An electron gas that indicates that it is partly due to low density. In-plane electron conductivity is dramatically reduced compared to graphene.

Peeling and / or experimental surface structure probes can be used to screen for the presence of amorphous graphite. We hope that this will allow researchers to drive experiments and research.

Jason Trenbury, a professor of mechanical engineering at Russ and director of the Institute for Sustainable Energy and Environment at Ohio University’s Russ Institute of Technology, has been studying the application of green call.

In this study, Trembly and Drabold received PhDs in physics. Students Rajendra Thapa, Chinonso Ugwumadu, and Kishor Nepal. Drabold is also a member of the Nanoscale & Quantum Phenomena Institute in Ohio, where he has authored several studies on the theory of amorphous carbon and amorphous graphene. Drabolt also praised graduate students for their efforts in conducting this study.

Amazing interfaceted cohesion

The question that led to this was whether graphite could be made from coal. This paper does not fully answer that question, but the overwhelming tendency for carbon to be layered like graphite, such as pentagons and heptagons (5- and 7-membered rings of carbon atoms), etc. There are many “defects”.Networking very naturally..

David Drabolt, a prominent professor of physics and astronomy, Faculty of Arts and Sciences, Ohio University

“”We will provide evidence of the existence of amorphous graphite and explain its formation process. From the experiment, it is suspected that graphitization occurs at around 3,000 K, but the details of the formation process and the nature of the in-plane disorder were unknown.“Drabolt added.

Researchers at Ohio University are also predicting a new carbon phase.

Until this was done, it was not entirely clear that the layers of amorphous graphene (planes containing pentagons and heptagons) would stick together in a layered structure.I think it’s very amazing, and now that its existence is predicted, experimenters will go looking for something like this...

David Drabolt, a prominent professor of physics and astronomy, Faculty of Arts and Sciences, Ohio University

“”Carbon is a miracle element. Life, diamonds, graphite, buckyballs, nanotubes, graphene, and now you can make this. This also has a lot of interesting basic physics. For example, how and why planes combine is in itself very surprising for technical reasons.“Drabolt concludes.

New carbon solid: amorphous graphite

Layer formation process: Starting with 1,000 randomly selected initial coordinates, the model was annealed at 3,000 K and the layer was created after 60 ps (1 ps = 10).-12 The second). Color: Green represents two coordinating atoms, blue represents one, yellow represents three, and red represents four. The last layer that appears is the plane of amorphous graphene. Video Credits: Ohio University.

Journal reference:

Tapa, R. , et al. (2022) Ab Initio Simulation of amorphous graphite. Physical review letter..

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