Yung Chien Luo

Tunghai University · Department of Chemical Engineering

Based on the first principles calculations, the adsorption properties of H-2 molecules on LaFeO3 (010) surface are studied after the (010) surface was confirmed as the most stable surface. LaFeO3 (010) surface consists of LaO and FeO2 terminated surfaces, but the adsorption mainly occurs on the FeO2 terminated surface. Due to the surface relaxation...

A capacitive intermetallic MnN was synthesized via nitridation of MnO2 at 800°C under NH3 atmosphere. A volumetric capacitance of 1044.3 F cm⁻³ was found in 1 mol dm⁻³ Na2SO4 (aq) using a current density of 1 A g⁻¹, and less than 1% of capacitance was lost after 5000 ladder cycles. 89.3% of the initial volumetric capacitance remained at a current d...

A2B7-type Laa83-0,5x(Pr0.1Nd0.1Sm0.1Gd0.2)xMg0.17Ni3.1Co0.3Al0.1(x=0~1.66) hydrogen storage alloys were prepared by induction melting method and annealed at 1 173 K in He+Ar atmosphere. The effect of the partial substitution of mixed rare earth for La on the structure and electrochemical properties of the alloys was investigated by XRD, SEM and ele...

La0.68Gd0.2Mg0.12 Ni3.3Co0.3Al0.1 hydrogen storage alloys were prepared by induction melting and then annealed at different temperature(1173-1273K) in the closed container for 16h. The effect of annealing temperature on the microstructure and electrochemical properties of La0.68Gd0.2Mg0.12 Ni3.3Co0.3Al0.1 were investigated by means of inductively c...

LaFe 1-xNi xO 3 (x=0, 0.2, 0.4, 0.6, 0.8, 1.0) nano-crystalline powders were synthesized by sol-gel method. The phase structure, morphology and composition of the LaFe 1-xNi xO 3 were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The charge-discharge performance and electrochemical kinetics properties of the o...

La 0.8-x Gd 0.2Mg xNi 3.3 Co 0.3Al 0.1 (x = 0-0.4) hydrogen storage alloys were prepared by induction melting followed by annealing treatment for 16 hours at 1273K under high purity argon atmosphere. The effect of Mg on the microstructure and electrochemical properties of La 0.8-xGd 0.2Mg x Ni 3.3Co 0.3Al 0.1 (x = 0-0.4) were investigated systemati...

La 0.8-xGd 0.2Mg x Ni 3.1Co 0.3Al 0.1(x=0, 0.1, 0.15, 0.2, 0.25, 0.3, 0.4) alloys were prepared by induction melting followed by annealing treatment at 1173 K for 8 h in Ar atmosphere. Phase structure analyses show that main phase is the Ce 2Ni 7-type phase and the phase abundance of Ce 2Ni 7- and Gd 2Co 7-type is 98.8% at the lower Mg content. Whe...

High performance nickel cobaltite (NiCo2O4) with ultrahigh capacitance is synthesized by a facile sol-gel process and then calcined at 300 degrees C. The structure and morphology is characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM), and nitrogen adsorption/desorption experiments. A...

The adsorption of H2 on a Li3N(110) crystal surface is studied by first principles. Preferred adsorption sites, adsorption energy, dissociation energy and electronic structure of the H2/Li3N(110) systems are calculated separately. It is found that H2 is adsorbed on the N bridge site more favorably than on the other sites, while two -NH radicles are...

Possible geometrical structures and relative stability of Alkaline-earth metal azides (MgN6)n (n = 1∼5) clusters are studied by using the hybrid density functional theory (B3LYP) with 6-311G* basis sets. For the most stable isomers of (MgN6)m (n = l∼5) clusters, the bond properties, charge distributions, vibrational properties, and stability are an...

Possible geometrical structures and relative stabilities of [Ca(NH2)2]n (n=1~5) clusters are studied by using the hybrid density functional theory (B3LYP) with 6-31G* basis sets. For the most stable isomers, electronic structures, vibrational properties, bonds properties, and ionization potentials are analyzed. The calculated results show that N-Ca...

Possible geometrical structures and relative stabilities of [Mg(NH2)2]n (n=1-5) clusters are studied by using the hybrid density functional theory (B3LYP) with 6-31G* basis sets. For the most stable isomers, the electronic structure, vibrational properties, bond properties and ionization potentials are analyzed. The calculated results show the foll...

Possible geometrical structures and relative stabilities of (Mg 3N2)n (n=1-4) clusters are studied by using the hybrid density functional theory(B3LYP) with 6-31G* basis sets. For the most stable isomers of (Mg3N2)n (n= 1-4) clusters, the electronic structure, vibrational properties, bonds properties, relative stabilities are analyzed. The followin...