Structural, thermodynamic, and mechanical properties of bulk La and A-La2O3

Cai, Weiping; Fan, Jing; Gong, H.R.

doi:10.1016/j.jallcom.2014.08.158

Cited by 28 publications

(4 citation statements)

References 66 publications

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“…These total energies were then fitted with the Birch-Murnaghan equation of state 31 32 33 . The elastic constants were calculated using the universal-linear-independent coupling-strains (ULICS) method 34 , which is computationally efficient and has been widely used in calculations of single-crystal elastic constants 35 36 37 38 39 . Based on the single-crystal elastic constants, the bulk modulus B and the shear modulus G were calculated according to the Voigt-Reuss-Hill approximation 40 .…”

Section: Methodsmentioning

confidence: 99%

A new type of vanadium carbide V5C3 and its hardening by tuning Fermi energy

Xing

Meng

2016

Sci Rep

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Transition metal compounds usually have various stoichiometries and crystal structures due to the coexistence of metallic, covalent, and ionic bonds in them. This flexibility provides a lot of candidates for materials design. Taking the V-C binary system as an example, here we report the first-principles prediction of a new type of vanadium carbide, V5C3, which has an unprecedented stoichiometry in the V-C system, and is energetically and mechanically stable. The material is abnormally much harder than neighboring compounds in the V-C phase diagram, and can be further hardened by tuning the Fermi energy.

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Section: Methodsmentioning

confidence: 99%

A new type of vanadium carbide V5C3 and its hardening by tuning Fermi energy

Xing

Meng

2016

Sci Rep

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“…Lanthanum oxide (La 2 O 3 ) is an important metal oxide that has novel electronic , optical, magnetic, catalytic, and mechanical properties. It is one of the most effective catalytic materials for exhaust treatment reactions. − It is used as an effective support for many hydrocarbon conversion reactions due to its high basicity. , It is also found to improve the resistance to coking and sintering during long hour reaction conditions and hence can be potentially useful as the industrial catalyst support. − …”

Section: Introductionmentioning

confidence: 99%

“…Lanthanum oxide (La 2 O 3 ) is an important metal oxide that has novel electronic 1,2 optical, 3 magnetic, 3 catalytic, 4 and mechanical 5 properties. It is one of the most effective catalytic materials for exhaust treatment reactions.…”

Section: ■ Introductionmentioning

confidence: 99%

Nonreducible, Basic La₂O₃ to Reducible, Acidic La_2–xSb_xO₃ with Significant Oxygen Storage Capacity, Lower Band Gap, and Effect on the Catalytic Activity

et al. 2016

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This paper describes one-pot solution combustion synthesis of La2–x Sb x O3 (0.02 ≤ x ≤ 0.10). Detailed characterization using X-ray diffraction (XRD) and X- ray photoelecron spectroscopy (XPS) is carried out to understand the doping effect and the oxidation state of antimony. Further, temperature-programmed desorption (TPD) with CO2 is performed for evaluating the basic property and temperature-programmed reduction (TPR) with H2 has been employed to obtain the oxygen storage capacity. The comparative study of La2O3, La2–x Sb x O3 (0.02 ≤ x ≤ 0.10) shows that as the concentration of Sb increases, the basicity decreases and the oxygen storage capacity increases. Thus, nonreducible and basic La2O3 can be transformed to significantly reducible and acidic La2–x Sb x O3 (0.02 ≤ x ≤ 0.10). Further, solid state UV spectroscopy shows that due to the antimony doping, band gap of La2O3 decreases significantly. Moreover, antimony doping also modifies the support property of La2O3 as demonstrated in the catalytic CO2 methanation reaction in the presence of hydrogen. Ru-doped La2O3 and La1.96Sb0.04O3 shows different selectivity toward methane formation and the later favors the reverse water gas shift reaction.

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“…Lanthanum oxide (La 2 O 3 ) is a basic rare earth oxide and has been extensively used in research due to its novel optical, [1] catalytic, [2] electronic, [3] magnetic, [1] and mechanical [4] properties. It has a number of industrial applications.…”

Section: Introductionmentioning

confidence: 99%

Effect of Bi³⁺ Ion Concentration on Physicochemical, Optical and Catalytic Properties of One‐Pot Combustion Synthesized Nanocrystalline Bi‐Doped La₂O₃

2020

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La 2-2x Bi 2x O 3 (x = 0-0.04) nanocrystalline powders are synthesized by one-pot single step solution combustion method. 4 atom% Bi doped La 2 O 3 reveals the presence of both Bi 3 + and metallic Bi. Temperature programmed reduction (TPR) of La 2 O 3 and La 2 À 2x Bi 2x O 3 (x = 0.005-0.04) indicates that the oxygen storage capacity changes with the dopant (Bi) concentration. La 2-2x Bi 2x O 3 (x = 0.04) has less hygroscopic behavior compared to La 2 O 3 and shown enhanced stability in an open atmosphere. The direct band gap of La 2 O 3 and La(OH) 3 decreases significantly after Bi doping. Further, PL studies of Bi doped compounds show a blue emission at 458 nm due to 3 P 1-1 S 0 transition of the Bi 3 + ion substituted in La 2 O 3. Emission intensity is maximum with 0.5 atom percent Bi doping, which decreases gradually with increasing Bi 3 + ion concentration. Bi doping also modifies the catalytic activity of La 2 O 3, resulting in higher CO oxidation activity than unsubstituted La 2 O 3 .

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Structural, thermodynamic, and mechanical properties of bulk La and A-La2O3

Cited by 28 publications

References 66 publications

A new type of vanadium carbide V5C3 and its hardening by tuning Fermi energy

A new type of vanadium carbide V5C3 and its hardening by tuning Fermi energy

Nonreducible, Basic La₂O₃ to Reducible, Acidic La_2–xSb_xO₃ with Significant Oxygen Storage Capacity, Lower Band Gap, and Effect on the Catalytic Activity

Effect of Bi³⁺ Ion Concentration on Physicochemical, Optical and Catalytic Properties of One‐Pot Combustion Synthesized Nanocrystalline Bi‐Doped La₂O₃

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Structural, thermodynamic, and mechanical properties of bulk La and A-La2O3

Cited by 28 publications

References 66 publications

A new type of vanadium carbide V5C3 and its hardening by tuning Fermi energy

A new type of vanadium carbide V5C3 and its hardening by tuning Fermi energy

Nonreducible, Basic La2O3 to Reducible, Acidic La2–xSbxO3 with Significant Oxygen Storage Capacity, Lower Band Gap, and Effect on the Catalytic Activity

Effect of Bi3+ Ion Concentration on Physicochemical, Optical and Catalytic Properties of One‐Pot Combustion Synthesized Nanocrystalline Bi‐Doped La2O3

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Nonreducible, Basic La₂O₃ to Reducible, Acidic La_2–xSb_xO₃ with Significant Oxygen Storage Capacity, Lower Band Gap, and Effect on the Catalytic Activity

Effect of Bi³⁺ Ion Concentration on Physicochemical, Optical and Catalytic Properties of One‐Pot Combustion Synthesized Nanocrystalline Bi‐Doped La₂O₃