Year |
Citation |
Score |
2020 |
Park J, Xia Y, Ganose A, Jain A, Ozolins V. High Thermoelectric Performance and Defect Energetics of Multi-pocketed Full-Heusler Compounds Physical Review Applied. 14. DOI: 10.1103/Physrevapplied.14.024064 |
0.348 |
|
2016 |
Kim HS, Cook JB, Lin H, Ko JS, Tolbert SH, Ozolins V, Dunn B. Oxygen vacancies enhance pseudocapacitive charge storage properties of MoO3-x. Nature Materials. PMID 27918566 DOI: 10.1038/Nmat4810 |
0.359 |
|
2016 |
Lin Z, Yin A, Mao J, Xia Y, Kempf N, He Q, Wang Y, Chen CY, Zhang Y, Ozolins V, Ren Z, Huang Y, Duan X. Scalable solution-phase epitaxial growth of symmetry-mismatched heterostructures on two-dimensional crystal soft template. Science Advances. 2: e1600993. PMID 27730211 DOI: 10.1126/Sciadv.1600993 |
0.328 |
|
2016 |
Lu X, Morelli DT, Wang Y, Lai W, Xia Y, Ozolins V. Phase Stability, Crystal Structure, and Thermoelectric Properties of Cu12Sb4S13-xSex Solid Solutions Chemistry of Materials. 28: 1781-1786. DOI: 10.1021/Acs.Chemmater.5B04796 |
0.342 |
|
2015 |
Lu X, Morelli DT, Xia Y, Ozolins V. Increasing the Thermoelectric Figure of Merit of Tetrahedrites by Co-Doping with Nickel and Zinc Chemistry of Materials. 27: 408-413. DOI: 10.1021/Cm502570B |
0.322 |
|
2014 |
Huang Z, Hsu C, Chuang F, Liu Y, Lin H, Su W, Ozolins V, Bansil A. Strain driven topological phase transitions in atomically thin films of group IV and V elements in the honeycomb structures New Journal of Physics. 16: 105018. DOI: 10.1088/1367-2630/16/10/105018 |
0.325 |
|
2014 |
Michel KJ, Ozoliņš V. Theory of mass transport in sodium alanate Journal of Materials Chemistry A. 2: 4438-4448. DOI: 10.1039/C3Ta14692H |
0.719 |
|
2014 |
Aguirre JC, Ferreira A, Ding H, Jenekhe SA, Kopidakis N, Asta M, Pilon L, Rubin Y, Tolbert SH, Schwartz BJ, Dunn B, Ozolins V. Panoramic view of electrochemical pseudocapacitor and organic solar cell research in molecularly engineered energy materials (MEEM) Journal of Physical Chemistry C. 118: 19505-19523. DOI: 10.1021/Jp501047J |
0.361 |
|
2014 |
Hsu C, Chang H, Chuang F, Liu Y, Huang Z, Lin H, Ozolinš V, Bansil A. First-principles study of atomic structures and electronic properties of ultrathin Bi films on Ge(111) Surface Science. 626: 68-75. DOI: 10.1016/J.Susc.2014.03.024 |
0.346 |
|
2013 |
Chiu CY, Wu H, Yao Z, Zhou F, Zhang H, Ozolins V, Huang Y. Facet-selective adsorption on noble metal crystals guided by electrostatic potential surfaces of aromatic molecules. Journal of the American Chemical Society. 135: 15489-500. PMID 24050216 DOI: 10.1021/Ja406018U |
0.3 |
|
2013 |
Ozoliņš V, Zhou F, Asta M. Ruthenia-based electrochemical supercapacitors: insights from first-principles calculations. Accounts of Chemical Research. 46: 1084-93. PMID 23560700 DOI: 10.1021/Ar3002987 |
0.321 |
|
2013 |
Michel KJ, Ozoliņš V. Recent advances in the theory of hydrogen storage in complex metal hydrides Mrs Bulletin. 38: 462-472. DOI: 10.1557/Mrs.2013.130 |
0.698 |
|
2013 |
Nielsen MD, Ozolins V, Heremans JP. Lone pair electrons minimize lattice thermal conductivity Energy and Environmental Science. 6: 570-578. DOI: 10.1039/C2Ee23391F |
0.366 |
|
2013 |
Hsu C, Ozolins V, Chuang F. First-principles study of Bi and Sb intercalated graphene on SiC(0001) substrate Surface Science. 616: 149-154. DOI: 10.1016/J.Susc.2013.06.002 |
0.322 |
|
2012 |
Ding H, Ray KG, Ozolins V, Asta M. Structural and vibrational properties of α-MoO 3 from van der Waals corrected density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.012104 |
0.314 |
|
2012 |
Hsu C, Lin W, Ozolins V, Chuang F. Electronic structures of an epitaxial graphene monolayer on SiC(0001) after metal intercalation (metal = Al, Ag, Au, Pt, and Pd): A first-principles study Applied Physics Letters. 100: 063115. DOI: 10.1063/1.3682303 |
0.325 |
|
2012 |
Liu Y, Ozolins V. Self-Assembled Monolayers on Au(111): Structure, Energetics, and Mechanism of Reconstruction Lifting The Journal of Physical Chemistry C. 116: 4738-4747. DOI: 10.1021/Jp211407P |
0.411 |
|
2012 |
Lu X, Morelli DT, Xia Y, Zhou F, Ozolins V, Chi H, Zhou X, Uher C. High Performance Thermoelectricity in Earth-Abundant Compounds Based on Natural Mineral Tetrahedrites Advanced Energy Materials. 3: 342-348. DOI: 10.1002/Aenm.201200650 |
0.311 |
|
2011 |
Chuang FC, Lin WH, Huang ZQ, Hsu CH, Kuo CC, Ozolins V, Yeh V. Electronic structures of an epitaxial graphene monolayer on SiC(0001) after gold intercalation: a first-principles study. Nanotechnology. 22: 275704. PMID 21597151 DOI: 10.1088/0957-4484/22/27/275704 |
0.313 |
|
2011 |
Sun WQ, Wolverton C, Akbarzadeh AR, Ozolins V. Erratum: First-principles prediction of high-capacity, thermodynamically reversible hydrogen storage reactions based on (NH4)2B12H12[Phys. Rev. B83, 064112 (2011)] Physical Review B. 84. DOI: 10.1103/Physrevb.84.099902 |
0.343 |
|
2011 |
Sun WQ, Wolverton C, Akbarzadeh AR, Ozolins V. First-principles prediction of high-capacity, thermodynamically reversible hydrogen storage reactions based on (NH4)2B 12H12 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.064112 |
0.391 |
|
2011 |
An JM, Barabash SV, Ozolins V, Van Schilfgaarde M, Belashchenko KD. First-principles study of phase stability of Gd-doped EuO and EuS Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.064105 |
0.363 |
|
2011 |
Liu Y, Zhou F, Ozolins V. Ab Initio Study of the Charge-Storage Mechanisms in RuO2-Based Electrochemical Ultracapacitors The Journal of Physical Chemistry C. 116: 1450-1457. DOI: 10.1021/Jp207616S |
0.451 |
|
2011 |
Michel KJ, Ozoliņš V. Vacancy diffusion in NaAlH4 and Na3AlH6 Journal of Physical Chemistry C. 115: 21465-21472. DOI: 10.1021/Jp203675E |
0.685 |
|
2011 |
Michel KJ, Ozoliņš V. Site substitution of Ti in NaAlH4 and Na3AlH 6 Journal of Physical Chemistry C. 115: 21454-21464. DOI: 10.1021/Jp203673S |
0.722 |
|
2011 |
Michel KJ, Ozoliņš V. Native defect concentrations in NaAlH4 and Na 3AlH6 Journal of Physical Chemistry C. 115: 21443-21453. DOI: 10.1021/Jp203672U |
0.707 |
|
2011 |
Liu Y, Ozolins V. Diffusion-Assisted Formation Mechanism of Molecular Break Junctions: A First-Principles Study of Benzenethiolate on Au(111) The Journal of Physical Chemistry C. 115: 3460-3465. DOI: 10.1021/Jp110072W |
0.443 |
|
2010 |
Michel K, Liu Y, Ozolins V. Atomic structure andSiH4-H2interactions ofSiH4(H2)2from first principles Physical Review B. 82. DOI: 10.1103/Physrevb.82.174103 |
0.678 |
|
2010 |
Barabash SV, Ozolins V. Order, miscibility, and electronic structure of Ag (Bi,Sb ) Te2 alloys and (Ag,Bi,Sb)Te precipitates in rocksalt matrix: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.075212 |
0.381 |
|
2010 |
Huang S, Worthington DL, Asta M, Ozolins V, Ghosh G, Liaw PK. Calculation of impurity diffusivities in α-Fe using first-principles methods Acta Materialia. 58: 1982-1993. DOI: 10.1016/J.Actamat.2009.11.041 |
0.333 |
|
2009 |
Ozolins V. First-principles calculations of free energies of unstable phases: the case of fcc W. Physical Review Letters. 102: 065702. PMID 19257605 DOI: 10.1103/Physrevlett.102.065702 |
0.357 |
|
2009 |
Ozolins V, Majzoub EH, Wolverton C. First-principles prediction of thermodynamically reversible hydrogen storage reactions in the Li-Mg-Ca-B-H system. Journal of the American Chemical Society. 131: 230-7. PMID 19072157 DOI: 10.1021/Ja8066429 |
0.394 |
|
2009 |
Akbarzadeh AR, Wolverton C, Ozolins V. First-principles determination of crystal structures, phase stability, and reaction thermodynamics in the Li-Mg-Al-H hydrogen storage system Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.184102 |
0.39 |
|
2009 |
Michel KJ, Akbarzadeh AR, Ozolins V. First-principles study of the Li-Mg-N-H system: Compound structures and hydrogen-storage properties Journal of Physical Chemistry C. 113: 14551-14558. DOI: 10.1021/Jp903797V |
0.716 |
|
2009 |
Kim C, Hwang SJ, Bowman RC, Reiter JW, Zan JA, Kulleck JG, Kabbour H, Majzoub EH, Ozolins V. LiSc(BH 4) 4 as a hydrogen storage material: Multinuclear high-resolution solid-state NMR and first-principles density functional theory studies Journal of Physical Chemistry C. 113: 9956-9968. DOI: 10.1021/Jp9011685 |
0.422 |
|
2008 |
Barabash SV, Ozolins V, Wolverton C. First-principles theory of competing order types, phase separation, and phonon spectra in thermoelectric AgPbmSbTe(m+2) alloys. Physical Review Letters. 101: 155704. PMID 18999614 DOI: 10.1103/Physrevlett.101.155704 |
0.331 |
|
2008 |
Ozolins V, Majzoub EH, Wolverton C. First-principles prediction of a ground state crystal structure of magnesium borohydride. Physical Review Letters. 100: 135501. PMID 18517964 DOI: 10.1103/Physrevlett.100.135501 |
0.41 |
|
2008 |
Gunaydin H, Houk KN, Ozolins V. Vacancy-mediated dehydrogenation of sodium alanate. Proceedings of the National Academy of Sciences of the United States of America. 105: 3673-7. PMID 18299582 DOI: 10.1073/Pnas.0709224105 |
0.461 |
|
2008 |
Yang J, Sudik A, Siegel DJ, Halliday D, Drews A, Carter RO, Wolverton C, Lewis GJ, Sachtler JW, Low JJ, Faheem SA, Lesch DA, Ozolins V. A self-catalyzing hydrogen-storage material. Angewandte Chemie (International Ed. in English). 47: 882-7. PMID 18098263 DOI: 10.1002/Anie.200703756 |
0.368 |
|
2008 |
Barabash SV, Ozolins V, Wolverton C. First-principles theory of the coherency strain, defect energetics, and solvus boundaries in the PbTe-AgSbTe2 system Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.214109 |
0.313 |
|
2007 |
Lewis GJ, Sachtler JWA, Low JJ, Lesch DA, Faheem SA, Dosek PM, Knight LM, Halloran L, Jensen CM, Yang J, Sudik A, Siegel DJ, Wolverton C, Ozolins V, Zhang S. High throughput screening of the ternary LiNH2-MgH2-LiBH4 phase diagram Journal of Alloys and Compounds. 446: 355-359. DOI: 10.1016/J.Jallcom.2007.04.028 |
0.355 |
|
2007 |
Yang J, Sudik A, Siegel DJ, Halliday D, Drews A, Carter RO, Wolverton C, Lewis GJ, Sachtler JWA, Low JJ, Faheem SA, Lesch DA, Ozolins V. Hydrogen storage properties of 2LiNH2 + LiBH4 + MgH2 Journal of Alloys and Compounds. 446: 345-349. DOI: 10.1016/J.Jallcom.2007.03.145 |
0.339 |
|
2006 |
Ardell AJ, Kim D, Ozolins V. Ripening of L12Ni3Ti precipitates in the framework of the trans-interface diffusion-controlled theory of particle coarsening Zeitschrift FüR Metallkunde. 97: 295-302. DOI: 10.3139/146.101254 |
0.339 |
|
2005 |
Ardell AJ, Ozolins V. Trans-interface diffusion-controlled coarsening. Nature Materials. 4: 309-16. PMID 15778716 DOI: 10.1038/Nmat1340 |
0.343 |
|
2005 |
De Fontaine D, Ozolins V, Islam Z, Moss SC. Origin of modulated structures in YBa2Cu3O6.63: A first-principles approach Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.212504 |
0.324 |
|
2004 |
Wolverton C, Ozoliņš V, Asta M. Hydrogen in aluminum: First-principles calculations of structure and thermodynamics Physical Review B - Condensed Matter and Materials Physics. 69: 144109-1-144109-16. DOI: 10.1103/Physrevb.69.144109 |
0.314 |
|
2004 |
Kim HJ, Zhao ZM, Liu J, Ozolins V, Chang JY, Xie YH. A technique for the measurement of surface diffusion coefficient and activation energy of Ge adatom on Si(001) Journal of Applied Physics. 95: 6065-6071. DOI: 10.1063/1.1711175 |
0.329 |
|
2004 |
Ozolins V, Majzoub E, Udovic T. Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates Journal of Alloys and Compounds. 375: 1-10. DOI: 10.1016/J.Jallcom.2003.11.154 |
0.435 |
|
2002 |
Thayer GE, Bartelt NC, Ozolins V, Schmid AK, Chiang S, Hwang RQ. Linking surface stress to surface structure: measurement of atomic strain in a surface alloy using scanning tunneling microscopy. Physical Review Letters. 89: 036101. PMID 12144406 DOI: 10.1103/Physrevlett.89.036101 |
0.337 |
|
2001 |
Thayer GE, Ozolins V, Schmid AK, Bartelt NC, Asta M, Hoyt JJ, Chiang S, Hwang RQ. Role of stress in thin film alloy thermodynamics: competition between alloying and dislocation formation. Physical Review Letters. 86: 660-3. PMID 11177906 DOI: 10.1103/Physrevlett.86.660 |
0.309 |
|
2001 |
Zunger A, Kim K, Ozolins V. Why Are the Conventionally-Assumed High-Pressure Crystal Structures of Ordinary Semiconductors Unstable? Physica Status Solidi (B). 223: 369-378. DOI: 10.1002/1521-3951(200101)223:2<369::Aid-Pssb369>3.0.Co;2-6 |
0.334 |
|
2000 |
Asta M, Ozolins V, Hoyt JJ. The energetics of surface-alloy formation: an embedded-atom-method, second-order-expansion study Modelling and Simulation in Materials Science and Engineering. 8: 287-293. DOI: 10.1088/0965-0393/8/3/309 |
0.314 |
|
2000 |
Wolverton C, Ozolins V, Zunger A. Short-range-order types in binary alloys: a reflection of coherent phase stability Journal of Physics: Condensed Matter. 12: 2749-2768. DOI: 10.1088/0953-8984/12/12/314 |
0.356 |
|
1999 |
Sadigh B, Asta M, Ozoliņš V, Schmid AK, Bartelt NC, Quong AA, Hwang RQ. Short-Range Order and Phase Stability of Surface Alloys: PdAu on Ru(0001) Physical Review Letters. 83: 1379-1382. DOI: 10.1103/Physrevlett.83.1379 |
0.375 |
|
1999 |
Ozoliņš V, Zunger A. Theory of Systematic Absence of NaCl-Type (β-Sn–Type) High Pressure Phases in Covalent (Ionic) Semiconductors Physical Review Letters. 82: 767-770. DOI: 10.1103/Physrevlett.82.767 |
0.329 |
|
1999 |
Kim K, Ozoliņš V, Zunger A. Instability of the high-pressure CsCl structure in most III-V semiconductors Physical Review B. 60: R8449-R8452. DOI: 10.1103/Physrevb.60.R8449 |
0.305 |
|
1999 |
Ferreira LG, Ozoliņš V, Zunger A. Fitting of accurate interatomic pair potentials for bulk metallic alloys using unrelaxed LDA energies Physical Review B. 60: 1687-1696. DOI: 10.1103/Physrevb.60.1687 |
0.375 |
|
1993 |
Ozolins V, Körling M. Full-potential calculations using the generalized gradient approximation: Structural properties of transition metals. Physical Review B. 48: 18304-18307. PMID 10008481 DOI: 10.1103/Physrevb.48.18304 |
0.378 |
|
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