Adsorption of water on UO₂ (111) surface: Density functional theory calculationsTIAN, Xiao-feng; HUI WANG; XIAO, Hong-xing et al.Computational materials science. 2014, Vol 91, pp 364-371, issn 0927-0256, 8 p.Article

Adsorption of NH₂ on Graphene in the Presence of Defects and AdsorbatesJUNKERMEIER, Chad E; SOLENOV, Dmitry; REINECKE, Thomas L et al.Journal of physical chemistry. C. 2013, Vol 117, Num 6, pp 2793-2798, issn 1932-7447, 6 p.Article

Presence of gapped silicene-derived band in the prototypical (3 × 3) silicene phase on silver (111) surfacesAVILA, J; DE PADOVA, P; CHO, S et al.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 26, issn 0953-8984, 262001.1-262001.8Article

Substrate dependence of Pt₄ electronic propertiesAREVALO, Ryan Lacdao; KISHI, Hirofumi; PADAMA, Allan Abraham Bustria et al.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 22, issn 0953-8984, 222001.1-222001.4Article

The electrostatic interaction of an external charged system with a metal surface: a simplified density functional theory approachSCIVETTI, Iván; PERSSON, Mats.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 35, issn 0953-8984, 355006.1-355006.12Article

Time-Resolved DRIFTS, MS, and Resistance Study of SnO₂ Materials: The Role of Surface Hydroxyl Groups in Formation of Donor StatesPAVELKO, Roman G; DALY, Helen; HÜBNER, Michael et al.Journal of physical chemistry. C. 2013, Vol 117, Num 8, pp 4158-4167, issn 1932-7447, 10 p.Article

Anchoring platinum on graphene using metallic adatoms: a first principles investigationSEN, F. G; QI, Y; ALPAS, A. T et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 22, issn 0953-8984, 225003.1-225003.12Article

Energetics and stability of dangling-bond silicon wires on H passivated Si(100)ROBLES, R; KEPENEKIAN, M; MONTURET, S et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 44, issn 0953-8984, 445004.1-445004.9Article

Experimental Study of Pristine and Alkali Metal Doped Picene Layers: Confirmation of the Insulating Phase in Multilayer Doped CompoundsCAPUTO, M; DI SANTO, G; GOLDONI, A et al.Journal of physical chemistry. C. 2012, Vol 116, Num 37, pp 19902-19908, issn 1932-7447, 7 p.Article

First-principles study on the incipient oxidization of Nb(110)WANG, Qing-Gao; SHANG, Jia-Xiang.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 22, issn 0953-8984, 225005.1-225005.9Article

Observation of Fermi-energy dependent unitary impurity resonances in a strong topological insulator Bi2Se3 with scanning tunneling spectroscopyTEAGUE, M. L; CHU, H; XIU, F.-X et al.Solid state communications. 2012, Vol 152, Num 9, pp 747-751, issn 0038-1098, 5 p.Article

Predicting the acidity constant of a goethite hydroxyl group from first principlesLEUNG, Kevin; CRISCENTI, Louise J.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 12, issn 0953-8984, 124105.1-124105.9Article

Raman fingerprint of doping due to metal adsorbates on grapheneIQBAL, M. W; ARUN KUMAR SINGH; IQBAL, M. Z et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 33, issn 0953-8984, 335301.1-335301.7Article

Adsorbate-Induced Modification of Surface Electronic Structure: Pyrocatechol Adsorption on the Anatase TiO₂ (101) and Rutile TiO₂ (110) SurfacesSYRES, Karen L; THOMAS, Andrew G; FLAVELL, Wendy R et al.Journal of physical chemistry. C. 2012, Vol 116, Num 44, pp 23515-23525, issn 1932-7447, 11 p.Article

Adsorption of Small Palladium Clusters on the α-Al₂O₃(0001) Surface: A First Principles StudyNIGAM, Sandeep; MAJUMDER, Chiranjib.Journal of physical chemistry. C. 2012, Vol 116, Num 4, pp 2863-2871, issn 1932-7447, 9 p.Article

Interactions between Organics and Metal Surfaces in the Intermediate Regime between Physisorption and ChemisorptionSHI, Xing-Qiang; YU LI; HOVE, Michel A. Van et al.Journal of physical chemistry. C. 2012, Vol 116, Num 44, pp 23603-23607, issn 1932-7447, 5 p.Article

Metallization of the potassium overlayer on the β-SiC(100) c(4 x 2) surfaceHAYCOCK, Barry J; TRABADA, Daniel G; ORTEGA, José et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 48, issn 0953-8984, 485001.1-485001.5Article

Theoretical Study of NO Conversion on Ag/Ti0₂ Systems. I. Anatase (100) SurfaceMAZHEIKA, Aliaksei S; BREDOW, Thomas; IVASHKEVICH, Oleg A et al.Journal of physical chemistry. C. 2012, Vol 116, Num 48, pp 25262-25273, issn 1932-7447, 12 p.Article

Bonding character of lithium atoms adsorbed on a graphene layerMEDEIROS, P. V. C; MOTA, F. De B; MASCARENHAS, A. J. S et al.Solid state communications. 2011, Vol 151, Num 7, pp 529-531, issn 0038-1098, 3 p.Article

Electronic states of a C₇₀ monolayer on the surface of Ag(111)PENG WANG; LIANG MENG; WANG, Xiao-Bo et al.Journal of physics. Condensed matter (Print). 2011, Vol 23, Num 39, issn 0953-8984, 395002.1-395002.6Article

Multi-orbital non-crossing approximation from maximally localized Wannier functions: the Kondo signature of copper phthalocyanine on Ag(100)KORYTAR, Richard; LORENTE, Nicolás.Journal of physics. Condensed matter (Print). 2011, Vol 23, Num 35, issn 0953-8984, 355009.1-355009.13Article

Electronic structure of Bi lines on clean and H-passivated Si(100)JAVORSKY, Jakub; GERVASE OWEN, James Hugh; SETVIN, Martin et al.Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 17, issn 0953-8984, 175006.1-175006.5Article

First-principles analysis of the adsorption of aluminum and chromium atoms on the HfC (0 0 1) surfaceDONGLIANG LIU; JIANGUO DENG; YONGZHONG JIN et al.Computational materials science. 2010, Vol 47, Num 3, pp 625-629, issn 0927-0256, 5 p.Article

Hydrogen sensing properties of low-index surfaces of SnO₂ from first-principlesZENG WEN; LIU, Tian-Mo; LEI, Xiao-Fei et al.Physica. B, Condensed matter. 2010, Vol 405, Num 16, pp 3458-3462, issn 0921-4526, 5 p.Article

Intense laser effects on donor impurity in a cylindrical single and vertically coupled quantum dots under combined effects of hydrostatic pressure and applied electric fieldDUQUE, C. A; KASAPOGLU, E; SAKIROGLU, S et al.Applied surface science. 2010, Vol 256, Num 24, pp 7406-7413, issn 0169-4332, 8 p.Article