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Items: 1 to 20 of 82

1.

Sample seal-and-drop device and methodology for high temperature oxide melt solution calorimetric measurements of PuO2.

Guo X, Boukhalfa H, Mitchell JN, Ramos M, Gaunt AJ, Migliori A, Roback RC, Navrotsky A, Xu H.

Rev Sci Instrum. 2019 Apr;90(4):044101. doi: 10.1063/1.5093567.

PMID:
31043032
2.

Thermodynamics and Stability of Rhabdophanes, Hydrated Rare Earth Phosphates REPO4 · n H2O.

Shelyug A, Mesbah A, Szenknect S, Clavier N, Dacheux N, Navrotsky A.

Front Chem. 2018 Dec 17;6:604. doi: 10.3389/fchem.2018.00604. eCollection 2018.

3.

Structural and thermodynamic limits of layer thickness in 2D halide perovskites.

Soe CMM, Nagabhushana GP, Shivaramaiah R, Tsai H, Nie W, Blancon JC, Melkonyan F, Cao DH, Traoré B, Pedesseau L, Kepenekian M, Katan C, Even J, Marks TJ, Navrotsky A, Mohite AD, Stoumpos CC, Kanatzidis MG.

Proc Natl Acad Sci U S A. 2019 Jan 2;116(1):58-66. doi: 10.1073/pnas.1811006115. Epub 2018 Dec 18.

PMID:
30563858
4.

Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO2 and HfO2.

Hong QJ, Ushakov SV, Kapush D, Benmore CJ, Weber RJK, van de Walle A, Navrotsky A.

Sci Rep. 2018 Oct 8;8(1):14962. doi: 10.1038/s41598-018-32848-7.

5.

Thermochemical Measurements of Alkali Cation Association to Hexatantalate.

Sures DJ, Nagabhushana GP, Navrotsky A, Nyman M.

Molecules. 2018 Sep 24;23(10). pii: E2441. doi: 10.3390/molecules23102441.

6.

Probing disorder in pyrochlore oxides using in situ synchrotron diffraction from levitated solids-A thermodynamic perspective.

Maram PS, Ushakov SV, Weber RJK, Benmore CJ, Navrotsky A.

Sci Rep. 2018 Jul 13;8(1):10658. doi: 10.1038/s41598-018-28877-x.

7.

Thermodynamic evidence of flexibility in H2O and CO2 absorption of transition metal ion exchanged zeolite LTA.

Guo X, Wu L, Navrotsky A.

Phys Chem Chem Phys. 2018 Feb 7;20(6):3970-3978. doi: 10.1039/c7cp08188j.

PMID:
29368776
8.

The Structure of Liquid and Amorphous Hafnia.

Gallington LC, Ghadar Y, Skinner LB, Weber JKR, Ushakov SV, Navrotsky A, Vazquez-Mayagoitia A, Neuefeind JC, Stan M, Low JJ, Benmore CJ.

Materials (Basel). 2017 Nov 10;10(11). pii: E1290. doi: 10.3390/ma10111290.

9.

Experimental and Theoretical Evaluation of the Stability of True MOF Polymorphs Explains Their Mechanochemical Interconversions.

Akimbekov Z, Katsenis AD, Nagabhushana GP, Ayoub G, Arhangelskis M, Morris AJ, Friščić T, Navrotsky A.

J Am Chem Soc. 2017 Jun 14;139(23):7952-7957. doi: 10.1021/jacs.7b03144. Epub 2017 Jun 5.

PMID:
28520416
10.

A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry.

Goverapet Srinivasan S, Shivaramaiah R, Kent PR, Stack AG, Riman R, Anderko A, Navrotsky A, Bryantsev VS.

Phys Chem Chem Phys. 2017 Mar 15;19(11):7820-7832. doi: 10.1039/c7cp00811b.

PMID:
28262886
11.

Corrigendum: Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE = Ho, Y, Gd, Nd, La).

Solomon JM, Shamblin J, Lang M, Navrotsky A, Asta M.

Sci Rep. 2017 Feb 13;7:42380. doi: 10.1038/srep42380. No abstract available.

12.

Thermodynamics of manganese oxides: Sodium, potassium, and calcium birnessite and cryptomelane.

Birkner N, Navrotsky A.

Proc Natl Acad Sci U S A. 2017 Feb 14;114(7):E1046-E1053. doi: 10.1073/pnas.1620427114. Epub 2017 Jan 27.

13.

Structure and Thermochemistry of Perrhenate Sodalite and Mixed Guest Perrhenate/Pertechnetate Sodalite.

Pierce EM, Lilova K, Missimer DM, Lukens WW, Wu L, Fitts J, Rawn C, Huq A, Leonard DN, Eskelsen JR, F Woodfield B, Jantzen CM, Navrotsky A.

Environ Sci Technol. 2017 Jan 17;51(2):997-1006. doi: 10.1021/acs.est.6b01879. Epub 2016 Dec 27.

14.

Chemical ordering in substituted fluorite oxides: a computational investigation of Ho2Zr2O7 and RE2Th2O7 (RE=Ho, Y, Gd, Nd, La).

Solomon JM, Shamblin J, Lang M, Navrotsky A, Asta M.

Sci Rep. 2016 Dec 12;6:38772. doi: 10.1038/srep38772. Erratum in: Sci Rep. 2017 Feb 13;7:42380.

15.

Structure and thermodynamic stability of UTa3O10, a U(v)-bearing compound.

Guo X, Lipp C, Tiferet E, Lanzirotti A, Newville M, Engelhard MH, Wu D, Ilton ES, Sutton SR, Xu H, Burns PC, Navrotsky A.

Dalton Trans. 2016 Nov 29;45(47):18892-18899.

PMID:
27722670
16.

Thermodynamic Properties of Polymorphs of Fluorosulfate Based Cathode Materials with Exchangeable Potassium Ions.

Shivaramaiah R, Lander L, Nagabhushana GP, Rousse G, Tarascon JM, Navrotsky A.

Chemphyschem. 2016 Nov 4;17(21):3365-3368. doi: 10.1002/cphc.201600960. Epub 2016 Sep 23.

PMID:
27605427
17.

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

Nagabhushana GP, Shivaramaiah R, Navrotsky A.

Proc Natl Acad Sci U S A. 2016 Jul 12;113(28):7717-21. doi: 10.1073/pnas.1607850113. Epub 2016 Jun 28.

18.

Thermodynamic Stability of Transition-Metal-Substituted LiMn2-x Mx O4 (M=Cr, Fe, Co, and Ni) Spinels.

Lai C, Chen J, Knight JC, Manthiram A, Navrotsky A.

Chemphyschem. 2016 Jul 4;17(13):1973-8. doi: 10.1002/cphc.201600120. Epub 2016 Apr 1.

PMID:
27017448
19.

Synthesis and thermodynamic study of transition metal ion (Mn²⁺, Co²⁺, Cu²⁺, and Zn²⁺) exchanged zeolites A and Y.

Wu L, Navrotsky A.

Phys Chem Chem Phys. 2016 Apr 21;18(15):10116-22. doi: 10.1039/c5cp07918g. Epub 2016 Mar 24.

PMID:
27009783
20.

Mössbauer Spectral Properties of Yttrium Iron Garnet, Y3Fe5O12, and Its Isovalent and Nonisovalent Yttrium-Substituted Solid Solutions.

Long GJ, Grandjean F, Guo X, Navrotsky A, Kukkadapu RK.

Inorg Chem. 2016 Apr 4;55(7):3413-8. doi: 10.1021/acs.inorgchem.5b02769. Epub 2016 Mar 21.

PMID:
26998613

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