Year: 2013
Type: article
Abstract: Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. As a result of the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding (with 1:1 stoichiometry dictated by charge balance) and B1-type crystal structure. By combining theoretical predictions and diamond anvil cell experiments, we found that new materials with different stoichiometries emerge at high pressures. Compounds such as Na3Cl, Na2Cl, Na3Cl2, NaCl3, and NaCl7 are theoretically stable and have unusual bonding and electronic properties. To test this prediction, we synthesized cubic and orthorhombic NaCl3 and two-dimensional metallic tetragonal Na3Cl. These experiments establish that compounds violating chemical intuition can be thermodynamically stable even in simple systems at nonambient conditions.
Source: Science
Institutions: State University of New York, China Agricultural University, Stony Brook University, Moscow Institute of Physics and Technology, Northwestern Polytechnical University, Carnegie Institution for Science, Chinese Academy of Sciences, Geophysical Laboratory, Institute of Solid State Physics, University of Chicago, Deutsches Elektronen-Synchrotron DESY
Language: English
Subfield: Geophysics
Field: Earth and Planetary Sciences
Domain: Physical Sciences
Open Access status: green
Funders: National Science Foundation, U.S. Department of Energy, Bundesministerium für Bildung und Forschung, China Agricultural University, Lomonosov Moscow State University, Defense Advanced Research Projects Agency, Office of Science, Deutsches Elektronen-Synchrotron, Russian Academy of Sciences, Division of Materials Research, Basic Energy Sciences, Army Research Office, Argonne National Laboratory, Brookhaven National Laboratory
Awards: G102163711, GeoSoilEnviroCARS: A National Resource for Earth, Planetary, Soil and Environmental Science Research at the APS, G107546177, G1194712160, G1286251239, G1313983767, G1505794299, GEOSOILENVIROCARS: A NATIONAL RESOURCE FOR EARTH, PLANETARY, SOIL AND ENVIRONMENTAL SCIENCE RESEARCH AT THE ADVANCED PHOTON SOURCE, G1664757510, CENTER FOR ENERGY FRONTIER RESEARCH IN EXTREME ENVIRONMENTS (EFREE) -- EFRC, G1996433053, G2025663771, G2101401529, G2125692922, G222768804, G2287611682, Verbundprojekt Hochauflösendes Pulverdiffraktometer: Teilprojekt 3: Erweiterung der 'Extreme Conditions'-Station@PETRA III: CO2 Laserheizung, pink beam Auswertung und Fluoreszenzspektroskopie., G262962599, G2659599448, G2887060908, G3071576832, G3075337988, G340565428, G3498719626, GEO CARS: A NATIONAL RESOURCE FOR EARTH, PLANETARY AND ENVIRONMENTAL SCIENCE RESEARCH AT THE ADVANCED PHOTON SOURCE, G426311843, G4746641823, G486686280, G498139845, G5106849484, DMREF: High-Pressure Synthesis of Novel Oxynitride Photocatalysts Directed by Theory and In Situ Scattering, G5387317844, G5535608740, G5648016710, G5910536577, G6848031779, Prediction and characterization of novel Earth-forming minerals using advanced ab initio simulations, G6918803902, G7368700025, G7583137537, G8273208077, GEOSOILENVIROCARS: A NATIONAL RESOURCE FOR EARTH, PLANETARY, SOIL AND ENVIRONMENTAL SCIENCE RESEARCH AT THE ADVANCED PHOTON SOURCE, G90348354, G969889393, GEO CARS: A NATIONAL RESOURCE FOR EARTH, PLANETARY AND ENVIRONMENTAL SCIENCE RESEARCH AT THE ADVANCED PHOTON SOURCE, G993149817
OpenAlex ID: W2081005627