RT Journal Article
T1 Structural features, anisotropic thermal expansion, and thermoelectric performance in bulk black phosphorus synthesized under high pressure
A1 Rodrigues, João Elias F. S.
A1 Gainza, Javier
A1 Serrano Sanchez, Federico
A1 Lopez, Carlos
A1 Dura, Oscar J.
A1 Nemes, Norbert Marcel
A1 Martinez, Jose L.
A1 Huttel, Yves
A1 Fauth, Francois
A1 Fernandez Diaz, Maria Teresa
A1 Biskup Zaja, Nevenko
A1 Alonso, José Antonio
AB Black phosphorus (BP) allotrope has an orthorhombic crystal structure with a narrow bandgap of 0.35 eV. This material is promising for 2D technology since it can be exfoliated down to one single layer: the well-known phosphorene. In this work, bulk BP was synthesized under high-pressure conditions at high temperatures. A detailed structural investigation using neutron and synchrotron X-ray diffraction revealed the occurrence of anisotropic strain effects on the BP lattice; the combination of both sets of diffraction data allowed visualization of the lone electron pair 3s(2). Temperature-dependent neutron diffraction data collected at low temperature showed that the a axis (zigzag) exhibits a quasi-temperature-independent thermal expansion in the temperature interval from 20 up to 150 K. These results may be a key to address the anomalous behavior in electrical resistivity near 150 K. Thermoelectric properties were also provided; low thermal conductivity from 14 down to 6 Wm(-1) K-1 in the range 323-673 K was recorded in our polycrystalline BP, which is below the reported values for single-crystals in literature.
PB American Chemical Society
SN 0020-1669
YR 2020
FD 2020
LK https://hdl.handle.net/20.500.14352/104697
UL https://hdl.handle.net/20.500.14352/104697
LA eng
NO Structural Features, Anisotropic Thermal Expansion, and Thermoelectric Performance in Bulk Black Phosphorus Synthesized under High Pressure João Elias F. S. Rodrigues, Javier Gainza, Federico Serrano-Sánchez, Carlos López, Oscar J. Dura, Norbert Nemes, Jose L. Martinez, Yves Huttel, Francois Fauth, Maria Teresa Fernández-Diaz, Nevenko Biškup, and José Antonio Alonso Inorganic Chemistry 2020 59 (20), 14932-14943 DOI: 10.1021/acs.inorgchem.0c01573
NO Ministerio de Ciencia e Innovación (España)
NO Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (Brasil)
NO Agencia Nacional de Promoción Científica y Tecnológica (Argentina)
NO Universidad Nacional de San Luis (Argentina)
DS Docta Complutense
RD 5 abr 2025