Ab initio study of oxygen point defects on tungsten trioxide surface

[1]  C. Lambert-Mauriat,et al.  Density-functional study of oxygen vacancies in monoclinic tungsten oxide , 2006 .

[2]  K. Aguir,et al.  Adsorption–desorption noise in gas sensors: Modelling using Langmuir and Wolkenstein models for adsorption , 2006 .

[3]  M. Gutowski,et al.  Driving force for the WO3(001) surface relaxation , 2005 .

[4]  Khalifa Aguir,et al.  Thermal modelling of a WO3 ozone sensor response , 2005 .

[5]  K. Schierbaum,et al.  The structure and electrical conductivity of vacuum-annealed WO3 thin films , 2004 .

[6]  Y. Abe,et al.  Optical and electrochromic properties of RF reactively sputtered WO3 films , 2003 .

[7]  K. Aguir,et al.  The role of surface oxygen vacancies upon WO3 conductivity , 2003 .

[8]  Daren J. Caruana,et al.  Modelling the response of a tungsten oxide semiconductor as a gas sensor for the measurement of ozone , 2002 .

[9]  Khalifa Aguir,et al.  Electrical properties of reactively sputtered WO3 thin films as ozone gas sensor , 2002 .

[10]  D. Sánchez-Portal,et al.  The SIESTA method for ab initio order-N materials simulation , 2001, cond-mat/0104182.

[11]  M. Gillan,et al.  First-principles study of the interaction of oxygen with the SnO2(110) surface , 2001 .

[12]  Norio Miura,et al.  Study of WO3-based sensing materials for NH3 and NO detection , 2000 .

[13]  Giorgio Sberveglieri,et al.  Investigation on the O3 sensitivity properties of WO3 thin films prepared by sol–gel, thermal evaporation and r.f. sputtering techniques , 2000 .

[14]  Eduard Llobet,et al.  Fabrication of Highly Selective Tungsten Oxide Ammonia Sensors , 2000 .

[15]  D. Morris,et al.  Electronic states at oxygen deficient WO3(001) surfaces: a study by resonant photoemission , 1998 .

[16]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[17]  S. C. Parker,et al.  An STM study of surface structures on WO3(001) , 1996 .

[18]  Soler,et al.  Self-consistent order-N density-functional calculations for very large systems. , 1996, Physical review. B, Condensed matter.

[19]  S. C. Parker,et al.  Computer simulation of the surface structures of WO3 , 1996 .

[20]  H. Baker,et al.  Alloy phase diagrams , 1992 .

[21]  Martins,et al.  Efficient pseudopotentials for plane-wave calculations. , 1991, Physical review. B, Condensed matter.

[22]  O. Sankey,et al.  Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems. , 1989, Physical review. B, Condensed matter.

[23]  H. Wriedt The O-W (oxygen-tungsten) system , 1989 .

[24]  K. Miyake,et al.  Physical and electrochromic properties of the amorphous and crystalline tungsten oxide thick films prepared under reducing atmosphere , 1984 .

[25]  B. Alder,et al.  THE GROUND STATE OF THE ELECTRON GAS BY A STOCHASTIC METHOD , 2010 .

[26]  M. Sienko,et al.  EFFECT OF OXYGEN-DEFICIENCY ON ELECTRICAL TRANSPORT PROPERTIES OF TUNGSTEN TRIOXIDE CRYSTALS. , 1970 .

[27]  H. Rietveld,et al.  Further refinement of the structure of WO3 , 1969 .