The electronic structure of Pd-covered TiFe (001) surface was studied using the full-potential linearized augmented plane wave method with local density approximation for the exchange-correlation potential. The electronic structure changes introduced by Pd in the surface layers of B2-TiFe (001) are analyzed. The influence of hydrogen and oxygen on the electronic properties and surface electronic structure of clean B2-TiFe (001) and with monolayer of Pd is discussed. (C) 2003 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.X1111sciescopu
Hydrogen adsorption on Fe(100) was analyzed using a semiempirical theoretical method. Calculations w...
We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for ...
Hydrogen in the solid state compounds is still considered as a safe method of energy storage. The ul...
The electronic structure of Pd-covered TiFe (001) surface was studied using the full-potential linea...
We investigate the interaction of hydrogen with the B2 TiFe (001)and (110) surfaces using the full-p...
We investigate the interaction of hydrogen with the B2 TiFe (001) and (110) surfaces using the full-...
In order to understand physical and chemical effects in the hydrogen adsorption on the transition me...
Motivation. We present an ab initio investigation of the surface electronic structure of B2–TiNi (00...
Adsorption of hydrogen on the ordered FePd face centered tetragonal alloy is investigated using a ti...
AbstractUsing the first principles “full-potential linearized augmented plane-wave method” based on ...
The influence of steps and island edges on the local electronic structure of a (bi-)metallic single ...
The interaction of hydrogen and platinum with B2-TiZn (001) surface was studied by means of spin-pol...
Measurements of the changes in electrical resistance of evaporated pure titanium metal films caused ...
The hydrogen storage material FeTi has the disadvantage to lose its sorption capacity in contact wit...
Density Functional Theory<br>Adsorption and absorption of hydrogen on Pd<br>Ultrathin Pd films on a ...
Hydrogen adsorption on Fe(100) was analyzed using a semiempirical theoretical method. Calculations w...
We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for ...
Hydrogen in the solid state compounds is still considered as a safe method of energy storage. The ul...
The electronic structure of Pd-covered TiFe (001) surface was studied using the full-potential linea...
We investigate the interaction of hydrogen with the B2 TiFe (001)and (110) surfaces using the full-p...
We investigate the interaction of hydrogen with the B2 TiFe (001) and (110) surfaces using the full-...
In order to understand physical and chemical effects in the hydrogen adsorption on the transition me...
Motivation. We present an ab initio investigation of the surface electronic structure of B2–TiNi (00...
Adsorption of hydrogen on the ordered FePd face centered tetragonal alloy is investigated using a ti...
AbstractUsing the first principles “full-potential linearized augmented plane-wave method” based on ...
The influence of steps and island edges on the local electronic structure of a (bi-)metallic single ...
The interaction of hydrogen and platinum with B2-TiZn (001) surface was studied by means of spin-pol...
Measurements of the changes in electrical resistance of evaporated pure titanium metal films caused ...
The hydrogen storage material FeTi has the disadvantage to lose its sorption capacity in contact wit...
Density Functional Theory<br>Adsorption and absorption of hydrogen on Pd<br>Ultrathin Pd films on a ...
Hydrogen adsorption on Fe(100) was analyzed using a semiempirical theoretical method. Calculations w...
We have computed adsorption energies, vibrational frequencies, surface relaxation and buckling for ...
Hydrogen in the solid state compounds is still considered as a safe method of energy storage. The ul...