Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic TrendsSHENG MENG; KAXIRAS, Efthimios.Nano letters (Print). 2010, Vol 10, Num 4, pp 1238-1247, issn 1530-6984, 10 p.Article

Hydrogen embrittlement of aluminum : The crucial role of vacanciesGANG LU; KAXIRAS, Efthimios.Physical review letters. 2005, Vol 94, Num 15, pp 155501.1-155501.4, issn 0031-9007Article

Theory of Structural Transformation in Lithiated Amorphous SiliconCUBUK, Ekin D; KAXIRAS, Efthimios.Nano letters (Print). 2014, Vol 14, Num 7, pp 4065-4070, issn 1530-6984, 6 p.Article

Multiscale simulations of complex systems: computation meets realityKAXIRAS, Efthimios; SUCCI, Sauro.Scientific modelling and simulation (Print). 2008, Vol 15, Num 1-3, pp 59-65, issn 1874-8554, 7 p.Article

Kinetic energy density functionals for non-periodic systemsCHOLY, Nicholas; KAXIRAS, Efthimios.Solid state communications. 2002, Vol 121, Num 5, pp 281-286, issn 0038-1098Article

The nature of contact between Pd leads and semiconducting carbon nanotubesWENGUANG ZHU; KAXIRAS, Efthimios.Nano letters (Print). 2006, Vol 6, Num 7, pp 1415-1419, issn 1530-6984, 5 p.Article

Electric-Field Dependence of the Effective Dielectric Constant in GrapheneSANTOS, Elton J. G; KAXIRAS, Efthimios.Nano letters (Print). 2013, Vol 13, Num 3, pp 898-902, issn 1530-6984, 5 p.Article

Is the nature of magnetic order in copper-oxides and in iron-pnictides different?MANOUSAKIS, Efstratios; JUN REN; SHENG MENG et al.Solid state communications. 2010, Vol 150, Num 1-2, pp 62-65, issn 0038-1098, 4 p.Article

Electron-phonon interaction in ultrasmall-radius carbon nanotubesBARNETT, Ryan; DEMLER, Eugene; KAXIRAS, Efthimios et al.Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 3, pp 035429.1-035429.22, issn 1098-0121Article

Carbon nanotube interaction with DNAGANG LU; MARAGAKIS, Paul; KAXIRAS, Efthimios et al.Nano letters (Print). 2005, Vol 5, Num 5, pp 897-900, issn 1530-6984, 4 p.Article

Natural Dyes Adsorbed on TiO₂ Nanowire for Photovoltaic Applications : Enhanced Light Absorption and Ultrafast Electron InjectionSHENG MENG; JUN REN; KAXIRAS, Efthimios et al.Nano letters (Print). 2008, Vol 8, Num 10, pp 3266-3272, issn 1530-6984, 7 p.Article

Metal-diboride nanotubes as high-capacity hydrogen storage mediaSHENG MENG; KAXIRAS, Efthimios; ZHENYU ZHANG et al.Nano letters (Print). 2007, Vol 7, Num 3, pp 663-667, issn 1530-6984, 5 p.Article

Graphene NanoFlakes with Large SpinWANG, Wei L; SHENG MENG; KAXIRAS, Efthimios et al.Nano letters (Print). 2008, Vol 8, Num 1, pp 241-245, issn 1530-6984, 5 p.Article

Proceedings of the first Synergy Between Experiment and Computation in Nanoscale Science (NNIN/C) conference, Cambridge, Massachusetts, 31 May-3 June 2006STOPA, Mike; KAXIRAS, Efthimios.Journal of computer-aided materials design. 2007, Vol 14, Num 1, issn 0928-1045, 177 p.Conference Proceedings

Active role of buried ultrathin oxide layers in adsorption of O₂ on Au filmsSU YING QUEK; FRIEND, Cynthia M; KAXIRAS, Efthimios et al.Surface science. 2006, Vol 600, Num 17, pp 3388-3393, issn 0039-6028, 6 p.Article

Superconducting and charge-density wave instabilities in ultrasmall-radius carbon nanotubesBARNETT, Ryan; DEMLER, Eugene; KAXIRAS, Efthimios et al.Solid state communications. 2005, Vol 135, Num 5, pp 335-339, issn 0038-1098, 5 p.Article

Sulfur point defects in crystalline and amorphous siliconMO, Yina; BAZANT, Martin Z; KAXIRAS, Efthimios et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 20, pp 205210.1-205210.10, issn 1098-0121, 2Article

Multiscale simulations in simple metals : A density-functional-based methodologyCHOLY, Nicholas; GANG LU; WEINAN E et al.Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 9, pp 094101.1-094101.16, issn 1098-0121Article

Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical StudyTRITSARIS, Georgios A; KEJIE ZHAO; OKEKE, Onyekwelu U et al.Journal of physical chemistry. C. 2012, Vol 116, Num 42, pp 22212-22216, issn 1932-7447, 5 p.Article

An experimentally justified confining potential for electrons in two-dimensional semiconductor quantum dotsCIFTJA, Orion.Journal of computer-aided materials design. 2007, Vol 14, Num 1, pp 37-44, issn 0928-1045, 8 p.Conference Paper

The Peierls-Nabarro model revisitedLU, Gang; KIOUSSIS, Nicholas; BULATOV, Vasily V et al.Philosophical magazine letters. 2000, Vol 80, Num 10, pp 675-682, issn 0950-0839Article

Surface Plasmon Engineering in Graphene Functionalized with Organic Molecules: A Multiscale Theoretical InvestigationJIERONG CHENG; WEI LI WANG; MOSALLAEI, Hossein et al.Nano letters (Print). 2014, Vol 14, Num 1, pp 50-56, issn 1530-6984, 7 p.Article

Quantized Current Blockade and Hydrodynamic Correlations in Biopolymer Translocation through Nanopores : Evidence from Multiscale SimulationsBERNASCHI, Massimo; MELCHIONNA, Simone; SUCCI, Sauro et al.Nano letters (Print). 2008, Vol 8, Num 4, pp 1115-1119, issn 1530-6984, 5 p.Article

Determination of DNA-base orientation on carbon nanotubes through directional optical absorbanceSHENG MENG; WANG, Wei L; MARAGAKIS, Paul et al.Nano letters (Print). 2007, Vol 7, Num 8, pp 2312-2316, issn 1530-6984, 5 p.Article

Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion StorageTRITSARIS, Georgios A; KAXIRAS, Efthimios; SHENG MENG et al.Nano letters (Print). 2013, Vol 13, Num 5, pp 2258-2263, issn 1530-6984, 6 p.Article