| Electronic structure, mechanical properties and thermal conductivity of Ln2Zr2O7 (Ln=La, Pr, Nd, Sm, Eu and Gd) pyrochlore | Acta Materialia | 2011 | 239 |
| The electronic, mechanical properties and theoretical hardness of chromium carbides by first-principles calculations | Journal of Alloys and Compounds | 2011 | 173 |
| Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method | Physical Review B | 2011 | 138 |
| Mechanical properties and chemical bonding characteristics of Cr7C3 type multicomponent carbides | Journal of Applied Physics | 2011 | 106 |
| Growth and organization of an organic molecular monolayer on TiO2: catechol on anatase (101) | Journal of the American Chemical Society | 2011 | 93 |
| Theoretical calculations on the adhesion, stability, electronic structure, and bonding of Fe/WC interface | Applied Surface Science | 2011 | 69 |
| Stability, thermal and mechanical properties of PtxAly compounds | Materials & Design | 2011 | 67 |
| Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional | Physical Review B | 2011 | 59 |
| Strong strain dependence of ferroelectric coercivity in a BiFeO3 film | Applied Physics Letters | 2011 | 48 |
| Calorimetric evidence of strong-coupling multiband superconductivity in Fe(Te0.57Se0.43) single crystal | Physical Review B | 2011 | 46 |
| Theoretical study on the electronic properties and stabilities of low-index surfaces of WC polymorphs | Computational Materials Science | 2011 | 44 |
| New limit on time-reversal violation in beta decay | Physical Review Letters | 2011 | 41 |
| Mechanical properties of rare earth stannate pyrochlores | Applied Physics Letters | 2011 | 39 |
| Adsorption-site-dependent electronic structure of catechol on the anatase TiO2(101) surface | Langmuir | 2011 | 36 |
| Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles | Computational and Theoretical Chemistry | 2011 | 36 |
| Calculation of the thermal conductivity of L2SrAl2O7 (L= La, Nd, Sm, Eu, Gd, Dy) | Physical Review B | 2011 | 32 |
| A simple but fully nonlocal correction to the random phase approximation | Journal of Chemical Physics | 2011 | 31 |
| Linear and nonlinear rogue wave statistics in the presence of random currents | Nonlinearity | 2011 | 25 |
| Emergent electronic and magnetic state in Ca3Ru2O7 induced by Ti doping | Physical Review B | 2011 | 24 |
| An in vitro controlled release study of valproic acid encapsulated in a titania ceramic matrix | Applied Surface Science | 2011 | 19 |
| Precision global measurements of London penetration depth in FeTe0.58Se0.42 | Physical Review B | 2011 | 16 |
| Photoemission Study of Azobenzene and Aniline Adsorbed on TiO2 Anatase (101) and Rutile (110) Surfaces | Journal of Physical Chemistry C | 2011 | 14 |
| Pythagorean coupling: Complete population transfer in a four-state system | Physical Review A | 2011 | 14 |
| Disease properties, geography, and mitigation strategies in a simulation spread of rinderpest across the United States | Veterinary Research | 2011 | 12 |
| Role of spinel substrate in the morphology of BiFeO3-CoFe2O4 epitaxial nanocomposite films | Applied Physics Letters | 2011 | 10 |
