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Direct calorimetric verification of thermodynamic instability of lead halide hybrid perovskites.

Proceedings of the National Academy of Sciences of the United States of America

Nagabhushana GP, Shivaramaiah R, Navrotsky A.
PMID: 27357677
Proc Natl Acad Sci U S A. 2016 Jul 12;113(28):7717-21. doi: 10.1073/pnas.1607850113. Epub 2016 Jun 28.

Hybrid perovskites, especially methylammonium lead iodide (MAPbI3), exhibit excellent solar power conversion efficiencies. However, their application is plagued by poor chemical and structural stability. Using direct calorimetric measurement of heats of formation, MAPbI3 is shown to be thermodynamically unstable...

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Nagabhushana GP, Shivaramaiah R, Navrotsky A. Direct calorimetric verification of thermodynamic instability of lead halide hybrid perovskites. Proc Natl Acad Sci U S A. 2016;113(28):7717-21doi: 10.1073/pnas.1607850113.
Nagabhushana, G. P., Shivaramaiah, R., & Navrotsky, A. (2016). Direct calorimetric verification of thermodynamic instability of lead halide hybrid perovskites. Proceedings of the National Academy of Sciences of the United States of America, 113(28), 7717-21. https://doi.org/10.1073/pnas.1607850113
Nagabhushana, G P, et al. "Direct calorimetric verification of thermodynamic instability of lead halide hybrid perovskites." Proceedings of the National Academy of Sciences of the United States of America vol. 113,28 (2016): 7717-21. doi: https://doi.org/10.1073/pnas.1607850113
Nagabhushana GP, Shivaramaiah R, Navrotsky A. Direct calorimetric verification of thermodynamic instability of lead halide hybrid perovskites. Proc Natl Acad Sci U S A. 2016 Jul 12;113(28):7717-21. doi: 10.1073/pnas.1607850113. Epub 2016 Jun 28. PMID: 27357677; PMCID: PMC4948354.
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A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry.

Physical chemistry chemical physics : PCCP

Goverapet Srinivasan S, Shivaramaiah R, Kent PR, Stack AG, Riman R, Anderko A, Navrotsky A, Bryantsev VS.
PMID: 28262886
Phys Chem Chem Phys. 2017 Mar 15;19(11):7820-7832. doi: 10.1039/c7cp00811b.

Bastnäsite, a fluoro-carbonate mineral, is the single largest mineral source of light rare earth elements (REE), La, Ce and Nd. Enhancing the efficiency of separation of the mineral from gangue through froth flotation is the first step towards meeting...

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Goverapet Srinivasan S, Shivaramaiah R, Kent PR, et al. A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry. Phys Chem Chem Phys. 2017;19(11):7820-7832doi: 10.1039/c7cp00811b.
Goverapet Srinivasan, S., Shivaramaiah, R., Kent, P. R., Stack, A. G., Riman, R., Anderko, A., Navrotsky, A., & Bryantsev, V. S. (2017). A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry. Physical chemistry chemical physics : PCCP, 19(11), 7820-7832. https://doi.org/10.1039/c7cp00811b
Goverapet Srinivasan, Sriram, et al. "A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry." Physical chemistry chemical physics : PCCP vol. 19,11 (2017): 7820-7832. doi: https://doi.org/10.1039/c7cp00811b
Goverapet Srinivasan S, Shivaramaiah R, Kent PR, Stack AG, Riman R, Anderko A, Navrotsky A, Bryantsev VS. A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry. Phys Chem Chem Phys. 2017 Mar 15;19(11):7820-7832. doi: 10.1039/c7cp00811b. PMID: 28262886.
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Little Thermodynamic Penalty for the Synthesis of Ultraporous Metal Organic Frameworks.

Chemphyschem : a European journal of chemical physics and physical chemistry

Akimbekov Z, Navrotsky A.
PMID: 26670808
Chemphyschem. 2016 Feb 16;17(4):468-70. doi: 10.1002/cphc.201501086. Epub 2016 Jan 08.

Many metal-organic frameworks (MOFs) of ultrahigh porosity (with molar volumes more than ten times greater than those of the corresponding dense phases) have been synthesized. However, the number of possible structures far exceeds those that have been made. It...

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Akimbekov Z, Navrotsky A. Little Thermodynamic Penalty for the Synthesis of Ultraporous Metal Organic Frameworks. Chemphyschem. 2016;17(4):468-70doi: 10.1002/cphc.201501086.
Akimbekov, Z., & Navrotsky, A. (2016). Little Thermodynamic Penalty for the Synthesis of Ultraporous Metal Organic Frameworks. Chemphyschem : a European journal of chemical physics and physical chemistry, 17(4), 468-70. https://doi.org/10.1002/cphc.201501086
Akimbekov, Zamirbek, and Navrotsky, Alexandra. "Little Thermodynamic Penalty for the Synthesis of Ultraporous Metal Organic Frameworks." Chemphyschem : a European journal of chemical physics and physical chemistry vol. 17,4 (2016): 468-70. doi: https://doi.org/10.1002/cphc.201501086
Akimbekov Z, Navrotsky A. Little Thermodynamic Penalty for the Synthesis of Ultraporous Metal Organic Frameworks. Chemphyschem. 2016 Feb 16;17(4):468-70. doi: 10.1002/cphc.201501086. Epub 2016 Jan 08. PMID: 26670808.
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Thermodynamics of Fe3O4-Co3O4 and Fe3O4-Mn3O4 spinel solid solutions at the bulk and nanoscale.

Physical chemistry chemical physics : PCCP

Sahu SK, Huang B, Lilova K, Woodfield BF, Navrotsky A.
PMID: 26245233
Phys Chem Chem Phys. 2015 Sep 14;17(34):22286-95. doi: 10.1039/c5cp02972d. Epub 2015 Aug 06.

High temperature oxide melt solution calorimetry has been performed to investigate the enthalpies of mixing (ΔmixH) of bulk and nanophase (1 -x)Fe3O4-xM3O4 (M = Co, Mn) spinel solid solutions. The entropies of mixing (ΔmixS) were calculated from the configurational...

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Sahu SK, Huang B, Lilova K, et al. Thermodynamics of Fe3O4-Co3O4 and Fe3O4-Mn3O4 spinel solid solutions at the bulk and nanoscale. Phys Chem Chem Phys. 2015;17(34):22286-95doi: 10.1039/c5cp02972d.
Sahu, S. K., Huang, B., Lilova, K., Woodfield, B. F., & Navrotsky, A. (2015). Thermodynamics of Fe3O4-Co3O4 and Fe3O4-Mn3O4 spinel solid solutions at the bulk and nanoscale. Physical chemistry chemical physics : PCCP, 17(34), 22286-95. https://doi.org/10.1039/c5cp02972d
Sahu, Sulata K, et al. "Thermodynamics of Fe3O4-Co3O4 and Fe3O4-Mn3O4 spinel solid solutions at the bulk and nanoscale." Physical chemistry chemical physics : PCCP vol. 17,34 (2015): 22286-95. doi: https://doi.org/10.1039/c5cp02972d
Sahu SK, Huang B, Lilova K, Woodfield BF, Navrotsky A. Thermodynamics of Fe3O4-Co3O4 and Fe3O4-Mn3O4 spinel solid solutions at the bulk and nanoscale. Phys Chem Chem Phys. 2015 Sep 14;17(34):22286-95. doi: 10.1039/c5cp02972d. Epub 2015 Aug 06. PMID: 26245233.
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Systematics in the enthalpies of formation of anhydrous aluminosilicate zeolites, glasses, and dense phases.

Chemistry (Weinheim an der Bergstrasse, Germany)

Navrotsky A, Tian ZR.
PMID: 11288866
Chemistry. 2001;7(4):769-74. doi: 10.1002/1521-3765(20010216)7:4<769::aid-chem769>3.0.co;2-j.

No abstract available.

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Navrotsky A, Tian ZR. Systematics in the enthalpies of formation of anhydrous aluminosilicate zeolites, glasses, and dense phases. Chemistry. 2001;7(4):769-74doi: 10.1002/1521-3765(20010216)7:4<769::aid-chem769>3.0.co;2-j.
Navrotsky, A., & Tian, Z. R. (2001). Systematics in the enthalpies of formation of anhydrous aluminosilicate zeolites, glasses, and dense phases. Chemistry (Weinheim an der Bergstrasse, Germany), 7(4), 769-74. https://doi.org/10.1002/1521-3765(20010216)7:4<769::aid-chem769>3.0.co;2-j
Navrotsky, A, and Tian, Z R. "Systematics in the enthalpies of formation of anhydrous aluminosilicate zeolites, glasses, and dense phases." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 7,4 (2001): 769-74. doi: https://doi.org/10.1002/1521-3765(20010216)7:4<769::aid-chem769>3.0.co;2-j
Navrotsky A, Tian ZR. Systematics in the enthalpies of formation of anhydrous aluminosilicate zeolites, glasses, and dense phases. Chemistry. 2001;7(4):769-74. doi: 10.1002/1521-3765(20010216)7:4<769::aid-chem769>3.0.co;2-j. PMID: 11288866.
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Enthalpy of transformation of a high-pressure polymorph of titanium dioxide to the rutile modification.

Science (New York, N.Y.)

Navrotsky A, Jamieson JC, Kleppa OJ.
PMID: 17794319
Science. 1967 Oct 20;158(3799):388-9. doi: 10.1126/science.158.3799.388.

The enthalpy of transformation of a high-pressure form of titanium dioxide, which has the alpha lead dioxide structure, to the rutile modification was measured by the method of "transposed temperature-drop calorimetry." For the reaction, titanium dioxide (alpha lead dioxide...

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Navrotsky A, Jamieson JC, Kleppa OJ. Enthalpy of transformation of a high-pressure polymorph of titanium dioxide to the rutile modification. Science. 1967;158(3799):388-9doi: 10.1126/science.158.3799.388.
Navrotsky, A., Jamieson, J. C., & Kleppa, O. J. (1967). Enthalpy of transformation of a high-pressure polymorph of titanium dioxide to the rutile modification. Science (New York, N.Y.), 158(3799), 388-9. https://doi.org/10.1126/science.158.3799.388
Navrotsky, A, et al. "Enthalpy of transformation of a high-pressure polymorph of titanium dioxide to the rutile modification." Science (New York, N.Y.) vol. 158,3799 (1967): 388-9. doi: https://doi.org/10.1126/science.158.3799.388
Navrotsky A, Jamieson JC, Kleppa OJ. Enthalpy of transformation of a high-pressure polymorph of titanium dioxide to the rutile modification. Science. 1967 Oct 20;158(3799):388-9. doi: 10.1126/science.158.3799.388. PMID: 17794319.
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Size-driven structural and thermodynamic complexity in iron oxides.

Science (New York, N.Y.)

Navrotsky A, Mazeina L, Majzlan J.
PMID: 18356516
Science. 2008 Mar 21;319(5870):1635-8. doi: 10.1126/science.1148614.

Iron oxides occur ubiquitously in environmental, geological, planetary, and technological settings. They exist in a rich variety of structures and hydration states. They are commonly fine-grained (nanophase) and poorly crystalline. This review summarizes recently measured thermodynamic data on their...

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Navrotsky A, Mazeina L, Majzlan J. Size-driven structural and thermodynamic complexity in iron oxides. Science. 2008;319(5870):1635-8doi: 10.1126/science.1148614.
Navrotsky, A., Mazeina, L., & Majzlan, J. (2008). Size-driven structural and thermodynamic complexity in iron oxides. Science (New York, N.Y.), 319(5870), 1635-8. https://doi.org/10.1126/science.1148614
Navrotsky, Alexandra, et al. "Size-driven structural and thermodynamic complexity in iron oxides." Science (New York, N.Y.) vol. 319,5870 (2008): 1635-8. doi: https://doi.org/10.1126/science.1148614
Navrotsky A, Mazeina L, Majzlan J. Size-driven structural and thermodynamic complexity in iron oxides. Science. 2008 Mar 21;319(5870):1635-8. doi: 10.1126/science.1148614. PMID: 18356516.
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Vibrational energy relaxation rates of H2 and D2 in liquid argon via the linearized semiclassical method.

The journal of physical chemistry. A

Navrotskaya I, Geva E.
PMID: 17228894
J Phys Chem A. 2007 Jan 25;111(3):460-7. doi: 10.1021/jp066243g.

The vibrational energy relaxation (VER) rates for H2 and D2 in liquid argon (T=152 K, rho=1.45x1022 cm-3) are calculated using the linearized semiclassical (LSC) method (J. Phys. Chem. 2003, 107, 9059, 9070). The calculation is based on Fermi's golden...

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Navrotskaya I, Geva E. Vibrational energy relaxation rates of H2 and D2 in liquid argon via the linearized semiclassical method. J Phys Chem A. 2007;111(3):460-7doi: 10.1021/jp066243g.
Navrotskaya, I., & Geva, E. (2007). Vibrational energy relaxation rates of H2 and D2 in liquid argon via the linearized semiclassical method. The journal of physical chemistry. A, 111(3), 460-7. https://doi.org/10.1021/jp066243g
Navrotskaya, Irina, and Geva, Eitan. "Vibrational energy relaxation rates of H2 and D2 in liquid argon via the linearized semiclassical method." The journal of physical chemistry. A vol. 111,3 (2007): 460-7. doi: https://doi.org/10.1021/jp066243g
Navrotskaya I, Geva E. Vibrational energy relaxation rates of H2 and D2 in liquid argon via the linearized semiclassical method. J Phys Chem A. 2007 Jan 25;111(3):460-7. doi: 10.1021/jp066243g. PMID: 17228894.
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Nanophase transition metal oxides show large thermodynamically driven shifts in oxidation-reduction equilibria.

Science (New York, N.Y.)

Navrotsky A, Ma C, Lilova K, Birkner N.
PMID: 20929770
Science. 2010 Oct 08;330(6001):199-201. doi: 10.1126/science.1195875.

Knowing the thermodynamic stability of transition metal oxide nanoparticles is important for understanding and controlling their role in a variety of industrial and environmental systems. Using calorimetric data on surface energies for cobalt, iron, manganese, and nickel oxide systems,...

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Navrotsky A, Ma C, Lilova K, et al. Nanophase transition metal oxides show large thermodynamically driven shifts in oxidation-reduction equilibria. Science. 2010;330(6001):199-201doi: 10.1126/science.1195875.
Navrotsky, A., Ma, C., Lilova, K., & Birkner, N. (2010). Nanophase transition metal oxides show large thermodynamically driven shifts in oxidation-reduction equilibria. Science (New York, N.Y.), 330(6001), 199-201. https://doi.org/10.1126/science.1195875
Navrotsky, Alexandra, et al. "Nanophase transition metal oxides show large thermodynamically driven shifts in oxidation-reduction equilibria." Science (New York, N.Y.) vol. 330,6001 (2010): 199-201. doi: https://doi.org/10.1126/science.1195875
Navrotsky A, Ma C, Lilova K, Birkner N. Nanophase transition metal oxides show large thermodynamically driven shifts in oxidation-reduction equilibria. Science. 2010 Oct 08;330(6001):199-201. doi: 10.1126/science.1195875. PMID: 20929770.
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Effect of structure and thermodynamic stability on the response of lanthanide stannate pyrochlores to ion beam irradiation.

The journal of physical chemistry. B

Lian J, Helean KB, Kennedy BJ, Wang LM, Navrotsky A, Ewing RC.
PMID: 16471823
J Phys Chem B. 2006 Feb 09;110(5):2343-50. doi: 10.1021/jp055266c.

The lanthanide stannates, Ln2Sn2O7, Ln=La-Lu and Y, have the isometric pyrochlore structure, A2B2O7, and their structural properties have been refined by Rietveld analysis of powder neutron and synchrotron X-ray diffraction data. In this study, the enthalpies of formation of...

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Lian J, Helean KB, Kennedy BJ, et al. Effect of structure and thermodynamic stability on the response of lanthanide stannate pyrochlores to ion beam irradiation. J Phys Chem B. 2006;110(5):2343-50doi: 10.1021/jp055266c.
Lian, J., Helean, K. B., Kennedy, B. J., Wang, L. M., Navrotsky, A., & Ewing, R. C. (2006). Effect of structure and thermodynamic stability on the response of lanthanide stannate pyrochlores to ion beam irradiation. The journal of physical chemistry. B, 110(5), 2343-50. https://doi.org/10.1021/jp055266c
Lian, J, et al. "Effect of structure and thermodynamic stability on the response of lanthanide stannate pyrochlores to ion beam irradiation." The journal of physical chemistry. B vol. 110,5 (2006): 2343-50. doi: https://doi.org/10.1021/jp055266c
Lian J, Helean KB, Kennedy BJ, Wang LM, Navrotsky A, Ewing RC. Effect of structure and thermodynamic stability on the response of lanthanide stannate pyrochlores to ion beam irradiation. J Phys Chem B. 2006 Feb 09;110(5):2343-50. doi: 10.1021/jp055266c. PMID: 16471823.
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Guest-host interactions of a rigid organic molecule in porous silica frameworks.

Proceedings of the National Academy of Sciences of the United States of America

Wu D, Hwang SJ, Zones SI, Navrotsky A.
PMID: 24449886
Proc Natl Acad Sci U S A. 2014 Feb 04;111(5):1720-5. doi: 10.1073/pnas.1323989111. Epub 2014 Jan 21.

Molecular-level interactions at organic-inorganic interfaces play crucial roles in many fields including catalysis, drug delivery, and geological mineral precipitation in the presence of organic matter. To seek insights into organic-inorganic interactions in porous framework materials, we investigated the phase...

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Wu D, Hwang SJ, Zones SI, et al. Guest-host interactions of a rigid organic molecule in porous silica frameworks. Proc Natl Acad Sci U S A. 2014;111(5):1720-5doi: 10.1073/pnas.1323989111.
Wu, D., Hwang, S. J., Zones, S. I., & Navrotsky, A. (2014). Guest-host interactions of a rigid organic molecule in porous silica frameworks. Proceedings of the National Academy of Sciences of the United States of America, 111(5), 1720-5. https://doi.org/10.1073/pnas.1323989111
Wu, Di, et al. "Guest-host interactions of a rigid organic molecule in porous silica frameworks." Proceedings of the National Academy of Sciences of the United States of America vol. 111,5 (2014): 1720-5. doi: https://doi.org/10.1073/pnas.1323989111
Wu D, Hwang SJ, Zones SI, Navrotsky A. Guest-host interactions of a rigid organic molecule in porous silica frameworks. Proc Natl Acad Sci U S A. 2014 Feb 04;111(5):1720-5. doi: 10.1073/pnas.1323989111. Epub 2014 Jan 21. PMID: 24449886; PMCID: PMC3918769.
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Experimental confirmation of low surface energy in LiCoO₂ and implications for lithium battery electrodes.

Angewandte Chemie (International ed. in English)

Maram PS, Costa GC, Navrotsky A.
PMID: 24573791
Angew Chem Int Ed Engl. 2013 Nov 11;52(46):12139-42. doi: 10.1002/anie.201305375. Epub 2013 Sep 23.

No abstract available.

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Maram PS, Costa GC, Navrotsky A. Experimental confirmation of low surface energy in LiCoO₂ and implications for lithium battery electrodes. Angew Chem Int Ed Engl. 2013;52(46):12139-42doi: 10.1002/anie.201305375.
Maram, P. S., Costa, G. C., & Navrotsky, A. (2013). Experimental confirmation of low surface energy in LiCoO₂ and implications for lithium battery electrodes. Angewandte Chemie (International ed. in English), 52(46), 12139-42. https://doi.org/10.1002/anie.201305375
Maram, Pardha S, et al. "Experimental confirmation of low surface energy in LiCoO₂ and implications for lithium battery electrodes." Angewandte Chemie (International ed. in English) vol. 52,46 (2013): 12139-42. doi: https://doi.org/10.1002/anie.201305375
Maram PS, Costa GC, Navrotsky A. Experimental confirmation of low surface energy in LiCoO₂ and implications for lithium battery electrodes. Angew Chem Int Ed Engl. 2013 Nov 11;52(46):12139-42. doi: 10.1002/anie.201305375. Epub 2013 Sep 23. PMID: 24573791.
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Showing 1 to 12 of 125 entries