Published August 25, 2010
| Version v1
Journal article
Designing rigid carbon foams
- 1. Department of Physics and Research Institute for Basic Sciences, Kyung Hee University, Seoul, 130-701 (Korea, Republic of)
- 2. Physics and Astronomy Department, Michigan State University, East Lansing, MI 48824-2320 (United States)
Description
We use ab initio density functional calculations to study the stability, elastic properties and electronic structure of sp2 carbon minimal surfaces with negative Gaussian curvature, called schwarzites. We focus on two systems with cubic unit cells containing 152 and 200 carbon atoms, which are metallic and very rigid. The porous schwarzite structure allows for efficient and reversible doping by electron donors and acceptors, making it a promising candidate for the next generation of alkali ion batteries. We identify schwarzite structures that act as arrays of interconnected spin quantum dots or become magnetic when doped. We introduce two interpenetrating schwarzite structures that may find their use as the ultimate super-capacitor.
Availability note (English)
Available from http://dx.doi.org/10.1088/0953-8984/22/33/334220Additional details
Identifiers
- DOI
- 10.1088/0953-8984/22/33/334220;
- PII
- S0953-8984(10)38794-7;
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 22
- Journal Issue
- 33
- Journal Page Range
- [7 p.]
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42027912
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ATOMS; BINDING ENERGY; CAPACITORS; CARBON; COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELASTICITY; ELECTRONIC STRUCTURE; ELECTRONS; IONS; POROUS MATERIALS; QUANTUM DOTS; SOLIDS; SPIN; STABILITY; SURFACES
- Descriptors DEC
- ANGULAR MOMENTUM; CALCULATION METHODS; CHARGED PARTICLES; ELECTRICAL EQUIPMENT; ELEMENTARY PARTICLES; ELEMENTS; ENERGY; EQUIPMENT; FERMIONS; LEPTONS; MATERIALS; MECHANICAL PROPERTIES; NANOSTRUCTURES; NONMETALS; PARTICLE PROPERTIES; SIMULATION; VARIATIONAL METHODS