Milen K. Kostov

Works (5)

Updated: July 5th, 2023 15:56

2009 chapter

Ab initio simulations of chemical reactions in nanostructured carbon materials

In V. A. Basiuk & P. Ugliengo (Eds.), Quantum chemical calculations of surfaces and interfaces of materials. Stevenson Ranch, Calif.: American Scientific Publishers,

By: E. Santiso , L. Huang, K. Gubbins , M. Kostov, A. George & M. Nardelli

Ed(s): . V. A. Basiuk & P. Ugliengo

Source: NC State University Libraries
Added: August 6, 2018

2007 article

Confinement effects on chemical reactions—Toward an integrated rational catalyst design

Santiso, E. E., Kostov, M. K., George, A. M., Nardelli, M. B., & Gubbins, K. E. (2007, January 10). Applied Surface Science, Vol. 253, pp. 5570–5579.

By: E. Santiso n , M. Kostov n, A. George n, M. Nardelli n & K. Gubbins n 

author keywords: confinement effects; catalyst design; chemical reactions; graphitic carbons
topics (OpenAlex): Advanced Chemical Physics Studies; Advanced Physical and Chemical Molecular Interactions; Zeolite Catalysis and Synthesis
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13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 article

Adsorption and catalysis: The effect of confinement on chemical reactions

Santiso, E. E., George, A. M., Turner, C. H., Kostov, M. K., Gubbins, K. E., Buongiorno-Nardelli, M., & Sliwinska-Bartkowiak, M. (2005, April 10). Applied Surface Science, Vol. 252, pp. 766–777.

By: E. Santiso n , A. George n, C. Turner *, M. Kostov n, K. Gubbins n , M. Buongiorno-Nardelli  n, M. Sliwinska-Bartkowiak *

author keywords: chemical reactions; confinement; porous carbons; molecular modeling
topics (OpenAlex): Phase Equilibria and Thermodynamics; Molecular Junctions and Nanostructures; Electrocatalysts for Energy Conversion
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UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 article

Dissociation of Water on Defective Carbon Substrates

Kostov, M. K., Santiso, E. E., George, A. M., Gubbins, K. E., & Nardelli, M. B. (2005, September 23). Physical Review Letters, Vol. 95.

By: M. Kostov n, E. Santiso n , A. George n, K. Gubbins n  & M. Nardelli n

topics (OpenAlex): Graphene research and applications; Quantum and electron transport phenomena; Chemical and Physical Properties of Materials
TL;DR: Using calculations from first principles, it is found that water can dissociate over defective sites in graphene or nanotubes following many possible reaction pathways, some of which have activation barriers lower than half the value for the dissociation of bulk water. (via Semantic Scholar)
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6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2003 journal article

Phonons and specific heat of neon and methane on the surface of a nanotube bundle

Physical Review. B, Condensed Matter and Materials Physics, 68(24).

By: M. Kostov, M. Calbi & M. Cole

Source: NC State University Libraries
Added: August 6, 2018

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