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• 11. [Article] Structure, Dynamics, and Phase Transitions in the Fullerene Derivatives C_{60}O and C_{61}H_{2}

  The effect of perturbing the icosohedral symmetry of C60 by the addition of the side groups -O and -CH2 upon orientational order-disorder and glass transitions in solid C60 has been studied by a combination ...

  Citation × Citation Citation Abstract Copy Title: Structure, Dynamics, and Phase Transitions in the Fullerene Derivatives C_{60}O and C_{61}H_{2} Author: Meingast, C., Roth, G., Pintschovius, L., Michel, R. H., Stoermer, C., Kappes, M. M., Heiney, Paul A., Brard, Laurent, Strongin, Robert M., Smith, Amos B., III Year: 1996 The effect of perturbing the icosohedral symmetry of C60 by the addition of the side groups -O and -CH2 upon orientational order-disorder and glass transitions in solid C60 has been studied by a combination of high-resolution capacitance dilatometry and single-crystal x-ray and powder inelastic neutron scattering. Both fullerene derivatives C60O (epoxide) and C61H2 (6,5-annulene) are shown to undergo a sequence of transitions similar to that found in pure C60, i.e., a first-order orientational ordering transition just below room temperature followed by an orientational glass transition at lower temperatures. Although the exact origin of the glass transition in C61H2 is unclear, the glass transition in C60O has the same origin as that in C60, with a significantly higher degree of order due to a larger energy difference between pentagon and hexagon orientations. The dilatometric data at the glass transition indicate that, in contrast to C60, the ground-state orientation of both C60O and C61H2 molecules is that with the smallest volume, also demonstrating a significant influence of the side groups upon the details of the structure. A possible explanation of these differences in terms of steric effects is proposed. Title: Structure, Dynamics, and Phase Transitions in the Fullerene Derivatives C_{60}O and C_{61}H_{2} Author: Meingast, C., Roth, G., Pintschovius, L., Michel, R. H., Stoermer, C., Kappes, M. M., Heiney, Paul A., Brard, Laurent, Strongin, Robert M., Smith, Amos B., III Year: 1996 The effect of perturbing the icosohedral symmetry of C60 by the addition of the side groups -O and -CH2 upon orientational order-disorder and glass transitions in solid C60 has been studied by a combination of high-resolution capacitance dilatometry and single-crystal x-ray and powder inelastic neutron scattering. Both fullerene derivatives C60O (epoxide) and C61H2 (6,5-annulene) are shown to undergo a sequence of transitions similar to that found in pure C60, i.e., a first-order orientational ordering transition just below room temperature followed by an orientational glass transition at lower temperatures. Although the exact origin of the glass transition in C61H2 is unclear, the glass transition in C60O has the same origin as that in C60, with a significantly higher degree of order due to a larger energy difference between pentagon and hexagon orientations. The dilatometric data at the glass transition indicate that, in contrast to C60, the ground-state orientation of both C60O and C61H2 molecules is that with the smallest volume, also demonstrating a significant influence of the side groups upon the details of the structure. A possible explanation of these differences in terms of steric effects is proposed. Close

• 12. [Article] Gold Tris(carboxyphenyl)corroles as Multifunctional Materials: Room Temperature Near-IR Phosphorescence and Applications to Photodynamic Therapy and Dye-Sensitized Solar Cells

  Two amphiphilic corroles—5,10,15-tris(3-carboxyphenyl)corrole (H3[mTCPC]) and 5,10,15-tris(4-carboxyphenyl)corrole (H3[pTCPC])—and their gold complexes have been synthesized, and their photophysical properties ...

  Citation × Citation Citation Abstract Copy Title: Gold Tris(carboxyphenyl)corroles as Multifunctional Materials: Room Temperature Near-IR Phosphorescence and Applications to Photodynamic Therapy and Dye-Sensitized Solar Cells Author: Alemayehu, Abraham B., Day, Nicholas U., Mani, Tomoyasu, Rudine, Alexander B., Thomas, Kolle E., Gederaas, Odrun A., Vinogradov, Sergei A., Wamser, Carl C., Ghosh, Abhik Year: 2016 Two amphiphilic corroles—5,10,15-tris(3-carboxyphenyl)corrole (H3[mTCPC]) and 5,10,15-tris(4-carboxyphenyl)corrole (H3[pTCPC])—and their gold complexes have been synthesized, and their photophysical properties and photovoltaic behavior have been investigated. Like other nonpolar gold corroles, Au[mTCPC] and Au[pTCPC] were both found to exhibit room temperature phosphorescence in deoxygenated solutions with quantum yields of ∼0.3% and triplet lifetimes of ∼75 μs. Both compounds exhibited significant activity as dyes in photodynamic therapy experiments and in dye-sensitized solar cells. Upon irradiation at 435 nm, both Au corroles exhibited significant phototoxicity against AY27 rat bladder cancer cells while the free-base corroles proved inactive. Dye-sensitized solar cells constructed using the free bases H3[mTCPC] and H3[pTCPC] exhibited low efficiencies (≪1%), well under that obtained with 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin, H2[pTCPP] (1.9%, cf. N719 9.5%). Likewise, Au[pTCPC] proved inefficient, with an efficiency of ∼0.2%. By contrast, Au[mTCPC] proved remarkably effective, exhibiting an open-circuit voltage (Voc) of 0.56 V, a short-circuit current of 8.7 mA cm–2, a fill factor of 0.72, and an efficiency of 3.5%. Title: Gold Tris(carboxyphenyl)corroles as Multifunctional Materials: Room Temperature Near-IR Phosphorescence and Applications to Photodynamic Therapy and Dye-Sensitized Solar Cells Author: Alemayehu, Abraham B., Day, Nicholas U., Mani, Tomoyasu, Rudine, Alexander B., Thomas, Kolle E., Gederaas, Odrun A., Vinogradov, Sergei A., Wamser, Carl C., Ghosh, Abhik Year: 2016 Two amphiphilic corroles—5,10,15-tris(3-carboxyphenyl)corrole (H3[mTCPC]) and 5,10,15-tris(4-carboxyphenyl)corrole (H3[pTCPC])—and their gold complexes have been synthesized, and their photophysical properties and photovoltaic behavior have been investigated. Like other nonpolar gold corroles, Au[mTCPC] and Au[pTCPC] were both found to exhibit room temperature phosphorescence in deoxygenated solutions with quantum yields of ∼0.3% and triplet lifetimes of ∼75 μs. Both compounds exhibited significant activity as dyes in photodynamic therapy experiments and in dye-sensitized solar cells. Upon irradiation at 435 nm, both Au corroles exhibited significant phototoxicity against AY27 rat bladder cancer cells while the free-base corroles proved inactive. Dye-sensitized solar cells constructed using the free bases H3[mTCPC] and H3[pTCPC] exhibited low efficiencies (≪1%), well under that obtained with 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin, H2[pTCPP] (1.9%, cf. N719 9.5%). Likewise, Au[pTCPC] proved inefficient, with an efficiency of ∼0.2%. By contrast, Au[mTCPC] proved remarkably effective, exhibiting an open-circuit voltage (Voc) of 0.56 V, a short-circuit current of 8.7 mA cm–2, a fill factor of 0.72, and an efficiency of 3.5%. Close

• 13. [Article] The effects of various chemical treatments on the surface area of coals

  Surface areas of most American coals are small when measured by N2 adsorption at 77 K and large when measured by CO2 adsorption at 298 K, implying that the majority of the pores are less than 5 Å in diameter. ...

  Citation × Citation Citation Abstract Copy Title: The effects of various chemical treatments on the surface area of coals Author: Ludvig, Maria Margaret Year: 1983 Surface areas of most American coals are small when measured by N2 adsorption at 77 K and large when measured by CO2 adsorption at 298 K, implying that the majority of the pores are less than 5 Å in diameter. This small pore size would restrict many gaseous and liquid reactants from entering the internal pore system of the coal, and hence, reduces the efficiency of coal conversion. Therefore, if the surface area, as measured by N2 (77 K), could be increased, that is, to increase the pore size, the conversion of coal into useful products should be accomplished more efficiently. Determining the surface properties of coal during treatment is important if one wishes to maximize any future process. Therefore, this research project is undertaken to gain knowledge of the surface properties (in particular the surface area) of coals undergoing treatment with various gaseous and liquid reactants. In particular, the effects of heat treatment in a stream of N2 up to 600oC and of oxidation in a stream of O2:N2 (5%:95%) at various temperatures between 350° and 450°C are studied with three coals of various ranks. The effect of pyridine extraction, at room temperature, before heat and oxidation treatments are examined for two of the coals, in addition to treatment with chromyl chloride at l00°C. Finally, the effects of hydrogen and oxygen atoms on the surface area of the coals are also investigated. Title: The effects of various chemical treatments on the surface area of coals Author: Ludvig, Maria Margaret Year: 1983 Surface areas of most American coals are small when measured by N2 adsorption at 77 K and large when measured by CO2 adsorption at 298 K, implying that the majority of the pores are less than 5 Å in diameter. This small pore size would restrict many gaseous and liquid reactants from entering the internal pore system of the coal, and hence, reduces the efficiency of coal conversion. Therefore, if the surface area, as measured by N2 (77 K), could be increased, that is, to increase the pore size, the conversion of coal into useful products should be accomplished more efficiently. Determining the surface properties of coal during treatment is important if one wishes to maximize any future process. Therefore, this research project is undertaken to gain knowledge of the surface properties (in particular the surface area) of coals undergoing treatment with various gaseous and liquid reactants. In particular, the effects of heat treatment in a stream of N2 up to 600oC and of oxidation in a stream of O2:N2 (5%:95%) at various temperatures between 350° and 450°C are studied with three coals of various ranks. The effect of pyridine extraction, at room temperature, before heat and oxidation treatments are examined for two of the coals, in addition to treatment with chromyl chloride at l00°C. Finally, the effects of hydrogen and oxygen atoms on the surface area of the coals are also investigated. Close

• 14. [Article] Surface area of coal as influenced by low temperature oxidation processes

  The possibility of increasing the amount of readily accessible surface area by enlarging the 5 A pore was examined via pretreating the PSOC-371 coal with gases such as nitrogen, nitrogen-oxygen, and ozone-oxygen ...

  Citation × Citation Citation Abstract Copy Title: Surface area of coal as influenced by low temperature oxidation processes Author: Arredondo, Salvador Leon Year: 1980 The possibility of increasing the amount of readily accessible surface area by enlarging the 5 A pore was examined via pretreating the PSOC-371 coal with gases such as nitrogen, nitrogen-oxygen, and ozone-oxygen and hydrogen peroxide solutions. Surface areas were obtained from nitrogen adsorption at 77 K and carbon dioxide adsorption at either 298 or 195 K for each sample before and after treatment. Title: Surface area of coal as influenced by low temperature oxidation processes Author: Arredondo, Salvador Leon Year: 1980 The possibility of increasing the amount of readily accessible surface area by enlarging the 5 A pore was examined via pretreating the PSOC-371 coal with gases such as nitrogen, nitrogen-oxygen, and ozone-oxygen and hydrogen peroxide solutions. Surface areas were obtained from nitrogen adsorption at 77 K and carbon dioxide adsorption at either 298 or 195 K for each sample before and after treatment. Close

• 15. [Article] Existence of High-Order Superlattices in Orientationally Ordered C_{60}

  We correlate the presence or absence of high-order modulated structures in solid C60 with the differential scanning calorimetry signature of the orientational ordering transition and other diagnostic data. ...

  Citation × Citation Citation Abstract Copy Title: Existence of High-Order Superlattices in Orientationally Ordered C_{60} Author: Fischer, J. E., Luzzi, D. E., Kniaź, K., McGhie, A. R., Ricketts-Foot, D. A., Romanow, W. R., Vaughan, Gavin B. M., Li, Dayin, Smith, Allan L., Strongin, Robert M., Cichy, M. A., Bard, Laurent, Smith, Amos B., III Year: 1993 We correlate the presence or absence of high-order modulated structures in solid C60 with the differential scanning calorimetry signature of the orientational ordering transition and other diagnostic data. We have searched for, but not observed, the 2a face-centered cubic structure recently observed in low-temperature electron and single-crystal x-ray diffraction. We conclude that the intrinsic ground state is the previously reported simple cubic structure [space groupPa3¯, a(14 K)=14.06 Å], and that other structures may be stabilized by defects or impurities. Title: Existence of High-Order Superlattices in Orientationally Ordered C_{60} Author: Fischer, J. E., Luzzi, D. E., Kniaź, K., McGhie, A. R., Ricketts-Foot, D. A., Romanow, W. R., Vaughan, Gavin B. M., Li, Dayin, Smith, Allan L., Strongin, Robert M., Cichy, M. A., Bard, Laurent, Smith, Amos B., III Year: 1993 We correlate the presence or absence of high-order modulated structures in solid C60 with the differential scanning calorimetry signature of the orientational ordering transition and other diagnostic data. We have searched for, but not observed, the 2a face-centered cubic structure recently observed in low-temperature electron and single-crystal x-ray diffraction. We conclude that the intrinsic ground state is the previously reported simple cubic structure [space groupPa3¯, a(14 K)=14.06 Å], and that other structures may be stabilized by defects or impurities. Close

• 16. [Article] Unusual Thermal Stability of a Site-Ordered MC60 Rocksalt Structure (M=K, Rb, or Cs).

  X-ray diffraction and differential scanning calorimetry of MxC60, with x∼1 and M=K, Rb, or Cs, reveal an unusual T-dependent phase sequence. A low-symmetry ground state is found, while the high-T limit ...

  Citation × Citation Citation Abstract Copy Title: Unusual Thermal Stability of a Site-Ordered MC60 Rocksalt Structure (M=K, Rb, or Cs). Author: Zhu, Q., Zhou, O., Fischer, J. E., McGhie, Andrew R., Romanow, W. R., Strongin, Robert M., Cichy, M. A., Smith, Amos B., III Year: 1993 X-ray diffraction and differential scanning calorimetry of MxC60, with x∼1 and M=K, Rb, or Cs, reveal an unusual T-dependent phase sequence. A low-symmetry ground state is found, while the high-T limit is an ordered rocksalt structure in which only the octahedral sites are occupied. The unusual high-T stability of this ordered phase is attributed to the entropy of molecular orientational disorder and/or thermal disorder of the alkali-metal ions within the octahedral sites. Unique to KxC60 with x≥1.4, we find at intermediate temperatures an fcc site-disordered lattice gas phase with random occupancy of tetrahedral and octahedral sites, which is thus isostructural with superconducting K3C60. Title: Unusual Thermal Stability of a Site-Ordered MC60 Rocksalt Structure (M=K, Rb, or Cs). Author: Zhu, Q., Zhou, O., Fischer, J. E., McGhie, Andrew R., Romanow, W. R., Strongin, Robert M., Cichy, M. A., Smith, Amos B., III Year: 1993 X-ray diffraction and differential scanning calorimetry of MxC60, with x∼1 and M=K, Rb, or Cs, reveal an unusual T-dependent phase sequence. A low-symmetry ground state is found, while the high-T limit is an ordered rocksalt structure in which only the octahedral sites are occupied. The unusual high-T stability of this ordered phase is attributed to the entropy of molecular orientational disorder and/or thermal disorder of the alkali-metal ions within the octahedral sites. Unique to KxC60 with x≥1.4, we find at intermediate temperatures an fcc site-disordered lattice gas phase with random occupancy of tetrahedral and octahedral sites, which is thus isostructural with superconducting K3C60. Close

• 17. [Article] Structure and Phase Transition of the 6,5-Annulene Isomer of C_{61}H_{2}

  We have used differential scanning calorimetry and x-ray diffraction to study the crystalline phases of the 6,5-annulene isomer of C61H2. At 308 K the methylenated fullerenes are orientationally disordered ...

  Citation × Citation Citation Abstract Copy Title: Structure and Phase Transition of the 6,5-Annulene Isomer of C_{61}H_{2} Author: Lommen, Andrea N., Heiney, Paul A., Vaughan, Gavin B. M., Stephens, Peter W., Liu, Dengfa, Li, Dayin, Smith, Allan L., McGhie, Andrew R., Strongin, Robert M., Brard, Laurent, Smith, Amos B., III Year: 1994 We have used differential scanning calorimetry and x-ray diffraction to study the crystalline phases of the 6,5-annulene isomer of C61H2. At 308 K the methylenated fullerenes are orientationally disordered in a face-centered cubic lattice with lattice parameter 14.19±0.02 Å. Below Tc=290 K the symmetry is lowered to Pa3¯, a simple-cubic structure. At 20 K the lattice parameter is 14.06±0.02 Å, with substantial statistical disorder remaining. The transition temperature in C61H2 is slightly higher than in C60O and higher still than in C60, but the three compounds exhibit orientationally ordering transitions between qualitatively similar phases. Title: Structure and Phase Transition of the 6,5-Annulene Isomer of C_{61}H_{2} Author: Lommen, Andrea N., Heiney, Paul A., Vaughan, Gavin B. M., Stephens, Peter W., Liu, Dengfa, Li, Dayin, Smith, Allan L., McGhie, Andrew R., Strongin, Robert M., Brard, Laurent, Smith, Amos B., III Year: 1994 We have used differential scanning calorimetry and x-ray diffraction to study the crystalline phases of the 6,5-annulene isomer of C61H2. At 308 K the methylenated fullerenes are orientationally disordered in a face-centered cubic lattice with lattice parameter 14.19±0.02 Å. Below Tc=290 K the symmetry is lowered to Pa3¯, a simple-cubic structure. At 20 K the lattice parameter is 14.06±0.02 Å, with substantial statistical disorder remaining. The transition temperature in C61H2 is slightly higher than in C60O and higher still than in C60, but the three compounds exhibit orientationally ordering transitions between qualitatively similar phases. Close

• 18. [Article] Neutron-Scattering Study of Librations and Intramolecular Phonons in Rb_{2.6}K_{0.4}C_{60}

  We report the results of inelastic neutron-scattering measurements on Rb2.6K0.4C60. Librational modes were observed as broad peaks with maxima between 4.1 and 4.7 meV, as the temperature is lowered from ...

  Citation × Citation Citation Abstract Copy Title: Neutron-Scattering Study of Librations and Intramolecular Phonons in Rb_{2.6}K_{0.4}C_{60} Author: Reznik, D., Kamitakahara, W. A., Neumann, D. A., Copley, J. R. D., Fischer, J. E., Strongin, Robert M., Cichy, M. A., Smith, Amos B., III Year: 1994 We report the results of inelastic neutron-scattering measurements on Rb2.6K0.4C60. Librational modes were observed as broad peaks with maxima between 4.1 and 4.7 meV, as the temperature is lowered from 300 to 12 K. As in K3C60, no change in the width or position of the librational peak was observed when the sample was cooled through the superconducting transition. Thus any coupling of the librations to electronic states is small. The magnitude of the orientational potential barrier was estimated from the librational peak frequency. A flat background observed in the low-energy inelastic-scattering spectra is ascribed to two-phonon scattering. The density of states of intramolecular modes is similar to that of previously studied M3C60 compounds; modes at 53 and 66 meV in pure C60 are not observed in Rb2.6K0.4C60. Title: Neutron-Scattering Study of Librations and Intramolecular Phonons in Rb_{2.6}K_{0.4}C_{60} Author: Reznik, D., Kamitakahara, W. A., Neumann, D. A., Copley, J. R. D., Fischer, J. E., Strongin, Robert M., Cichy, M. A., Smith, Amos B., III Year: 1994 We report the results of inelastic neutron-scattering measurements on Rb2.6K0.4C60. Librational modes were observed as broad peaks with maxima between 4.1 and 4.7 meV, as the temperature is lowered from 300 to 12 K. As in K3C60, no change in the width or position of the librational peak was observed when the sample was cooled through the superconducting transition. Thus any coupling of the librations to electronic states is small. The magnitude of the orientational potential barrier was estimated from the librational peak frequency. A flat background observed in the low-energy inelastic-scattering spectra is ascribed to two-phonon scattering. The density of states of intramolecular modes is similar to that of previously studied M3C60 compounds; modes at 53 and 66 meV in pure C60 are not observed in Rb2.6K0.4C60. Close

• 19. [Article] Coherence Peak and Superconducting Energy Gap in Rb_{3}C_{60} Observed by Muon Spin Relaxation

  Muon spin relaxation resulting from spin exchange scattering of endohedral muonium (μ+e-) with thermal electronic excitations has been observed in the fullerene superconductor Rb3C60. The temperature dependence ...

  Citation × Citation Citation Abstract Copy Title: Coherence Peak and Superconducting Energy Gap in Rb_{3}C_{60} Observed by Muon Spin Relaxation Author: Kiefl, R. F., MacFarlane, W. A., Chow, K. H., Dunsiger, S., Duty, T. L., Johnston, T. M. S., Schneider, J. W., Sonier, J., Brard, Laurent, Strongin, Robert M., Fischer, J. E., Smith, Amos B., III Year: 1993 Muon spin relaxation resulting from spin exchange scattering of endohedral muonium (μ+e-) with thermal electronic excitations has been observed in the fullerene superconductor Rb3C60. The temperature dependence of T1-1 shows a coherence peak just below Tc and can be fit to the conventional Hebel-Slichter theory for spin relaxation in a superconductor with a broadened BCS density of states. The average energy gap for electronic excitations, Δ/kB=53(4) K or 2Δ/ kBTc=3.6(3), is consistent with the BCS weak coupling limit. Title: Coherence Peak and Superconducting Energy Gap in Rb_{3}C_{60} Observed by Muon Spin Relaxation Author: Kiefl, R. F., MacFarlane, W. A., Chow, K. H., Dunsiger, S., Duty, T. L., Johnston, T. M. S., Schneider, J. W., Sonier, J., Brard, Laurent, Strongin, Robert M., Fischer, J. E., Smith, Amos B., III Year: 1993 Muon spin relaxation resulting from spin exchange scattering of endohedral muonium (μ+e-) with thermal electronic excitations has been observed in the fullerene superconductor Rb3C60. The temperature dependence of T1-1 shows a coherence peak just below Tc and can be fit to the conventional Hebel-Slichter theory for spin relaxation in a superconductor with a broadened BCS density of states. The average energy gap for electronic excitations, Δ/kB=53(4) K or 2Δ/ kBTc=3.6(3), is consistent with the BCS weak coupling limit. Close

• 20. [Article] Thermal Effects of Microinverter Placement on the Performance of Silicon Photovoltaics

  Typical installation of a microinverter in a plane parallel position on the back side of a monocrystalline silicon photovoltaic (PV) panel can lead to differential heating of the PV cells immediately above ...

  Citation × Citation Citation Abstract Copy Title: Thermal Effects of Microinverter Placement on the Performance of Silicon Photovoltaics Author: Day, Nicholas U., Reinhart, Chase C., DeBow, Shaun, Smith, Matthew K., Sailor, David J., Johansson, Erik, Wamser, Carl C. Year: 2016 Typical installation of a microinverter in a plane parallel position on the back side of a monocrystalline silicon photovoltaic (PV) panel can lead to differential heating of the PV cells immediately above the microinverter by as much as 4 °C. Rotation of the microinverter to a perpendicular position allows the microinverter itself to run cooler by about 4 °C and completely removes the distinctive heat signature on the panels. Because the thermal effects of the microinverters are significant for only two of the 72 cells on the panel, changes in DC power output from the panels are not detectable. However, lower microinverter temperatures increase microinverter efficiency by about 0.65%, such that overall AC power production is increased by about 0.09%. In addition to these small improvements to be gained by the repositioning of microinverters, there are also potential long-term concerns that nonuniform heating may lead to accelerated degradation in the affected area of the panel. Title: Thermal Effects of Microinverter Placement on the Performance of Silicon Photovoltaics Author: Day, Nicholas U., Reinhart, Chase C., DeBow, Shaun, Smith, Matthew K., Sailor, David J., Johansson, Erik, Wamser, Carl C. Year: 2016 Typical installation of a microinverter in a plane parallel position on the back side of a monocrystalline silicon photovoltaic (PV) panel can lead to differential heating of the PV cells immediately above the microinverter by as much as 4 °C. Rotation of the microinverter to a perpendicular position allows the microinverter itself to run cooler by about 4 °C and completely removes the distinctive heat signature on the panels. Because the thermal effects of the microinverters are significant for only two of the 72 cells on the panel, changes in DC power output from the panels are not detectable. However, lower microinverter temperatures increase microinverter efficiency by about 0.65%, such that overall AC power production is increased by about 0.09%. In addition to these small improvements to be gained by the repositioning of microinverters, there are also potential long-term concerns that nonuniform heating may lead to accelerated degradation in the affected area of the panel. Close