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Lee, Shannon

Publications and source records attributed to Lee, Shannon.

8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Clathrate XI K 58 Zn 122 Sb 207 : A New Branch on the Clathrate Family Tree

Abstract The compositional screening of K‐Zn‐Sb ternary system aided by machine learning, rapid exploratory synthesis using KH salt‐like precursor and in situ powder X‐ray diffraction yielded a novel clathrate type XI K 58 Zn 122 Sb 207 . This clathrate consists of a 3D Zn‐Sb framework hosting K + ions inside polyhedral cages, some of which are reminiscent of known clathrate types while others are unique to this structure type. The complex non‐centrosymmetric structure in the tetragonal space group was solved by means of single crystal X‐ray diffraction as a 6‐component twin due to pseudocubic symmetry and further confirmed by high‐resolution synchrotron powder X‐ray diffraction and state‐of‐the‐art scanning transmission electron microscopy. The electron‐precise composition of this clathrate yields narrow‐gap p ‐type semiconductor with extraordinarily low thermal conductivity due to displacement or “rattling” of K cations inside oversized cages and as well as to twinning, stacking faults and antiphase boundary defects.

Cox, Tori↗
DOE OSTI2020

Clathrate XI K 58 Zn 122 Sb 207 : A New Branch on the Clathrate Family Tree

Abstract The compositional screening of K‐Zn‐Sb ternary system aided by machine learning, rapid exploratory synthesis using KH salt‐like precursor and in situ powder X‐ray diffraction yielded a novel clathrate type XI K 58 Zn 122 Sb 207 . This clathrate consists of a 3D Zn‐Sb framework hosting K + ions inside polyhedral cages, some of which are reminiscent of known clathrate types while others are unique to this structure type. The complex non‐centrosymmetric structure in the tetragonal space group was solved by means of single crystal X‐ray diffraction as a 6‐component twin due to pseudocubic symmetry and further confirmed by high‐resolution synchrotron powder X‐ray diffraction and state‐of‐the‐art scanning transmission electron microscopy. The electron‐precise composition of this clathrate yields narrow‐gap p ‐type semiconductor with extraordinarily low thermal conductivity due to displacement or “rattling” of K cations inside oversized cages and as well as to twinning, stacking faults and antiphase boundary defects.

Cox, Tori↗
DOE OSTI2020

Synthesis, Crystal Growth, and Transport Properties of van der Waals Tetrel Pnictide GeAs 2

Here, bulk GeAs 2 was synthesized utilizing a vapor transport reaction with iodine. Thermal stability tests under dynamic conditions show that GeAs 2 decomposes below 700 K, in contrast to the reported congruent melting at 1029 K measured at saturated As vapor pressure. GeAs 2 is a p-type narrow bandgap (~0.4 eV) semiconductor. From a thermoelectric standpoint, GeAs 2 outperforms previous computational predictions in thermopower and thermal conductivity. Yet, electrical resistivity is significantly higher than predicted values, resulting in the low overall thermoelectric figure of merit. Aliovalent doping strategies for GeAs 2 should be developed to achieve reasonable thermoelectric performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Synthesis, Crystal and Electronic Structure of Layered AM Sb Compounds ( A = Rb, Cs; M = Zn, Cd): Synthesis, Crystal and Electronic Structure of Layered AM Sb Compounds ( A = Rb, Cs; M = Zn, Cd)

Synthesis, crystal structure, thermal stability, and electronic band structure of four new metal antimonides AMSb (A = Rb, Cs; M = Zn, Cd) are reported. CsZnSb and RbZnSb crystallize in the hexagonal ZrBeSi structure type, in a P6 3 /mmc space group (no. 194, Z = 2) and unit cell dimensions of a = 4.5588(2)/4.5466(4) Å and c = 11.9246(6)/11.0999(10) Å. CsCdSb and RbCdSb crystallize in the tetragonal PbFCl structure type in a P4/nmm space group (no. 129; Z = 2) and unit cell parameters of a = 4.8884(5)/4.8227(3) Å and c = 8.8897(9)/8.5492(7) Å. All four compounds are air- and water-sensitive and are shown through DSC measurements to decompose between 975 K and 1060 K. Analysis of the calculated electronic band structure shows that the Zn-containing antimonides are topologically trivial narrow bandgap semiconductors, whereas Cd-containing compounds exhibit a band inversion along Γ-Z direction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Analysis of Supergranule Sizes and Velocities Using Solar Dynamics Observatory (SDO)/Helioseismic Magnetic Imager (HMI) and Solar and Heliospheric Observatory (SOHO)/Michelson Doppler Imager (MDI) Dopplergrams

Co-temporal Doppler images from Solar and Heliospheric Observatory (SOHO)/ Michelson Doppler Imager (MDI) and Solar Dynamics Observatory (SDO)/Helioseismic Magnetic Imager (HMI) have been analyzed to extract quantitative information about global properties of the spatial and temporal characteristics of solar supergranulation. Preliminary comparisons show that supergranules appear to be smaller and have stronger horizontal velocity flows within HMI data than was measured with MDI. There appears to be no difference in their evolutionary timescales. Supergranule sizes and velocities were analyzed over a ten-day time period at a 15-minute cadence. While the averages of the time-series retain the aforementioned differences, fluctuations of these parameters first observed in MDI data were seen in both MDI and HMI time-series, exhibiting a strong cross-correlation. This verifies that these fluctuations are not instrumental, but are solar in origin. The observed discrepancies between the averaged values from the two sets of data are a consequence of instrument resolution. The lower spatial resolution of MDI results in larger observed structures with lower velocities than is seen in HMI. While these results offer a further constraint on the physical nature of supergranules, they also provide a level of calibration between the two instruments.

Dopplergrams↗