4.6 Article

Structural features, thermal stability and catalytic implication of Fe-Ni nanoparticles

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Materials Science, Multidisciplinary

Element segregation and thermal stability of Ni-Pd nanoparticles

Yishuang Xu et al.

Summary: A high-precision angular-dependent potential of the Ni-Pd system was obtained by fitting experimental data and calculations. The element segregation and thermal stability of Ni-Pd bimetallic nanoparticles were then investigated using Monte Carlo and molecular dynamics methods. The results indicate that the chemical ordering pattern of PdxNi1 - x nanoparticles is influenced by surface energy, strain energy, bond energy, and interface energy. When Pd atoms are doped into the Ni nanoparticles, they segregate on the surface, leading to improved catalytic activity and carbon deposition resistance. Increasing the doping amount of Pd atoms lowers the melting point and enhances sintering resistance.

JOURNAL OF MATERIALS SCIENCE (2022)

Article Chemistry, Inorganic & Nuclear

Element segregation and thermal stability of Ni-Rh nanoparticles

Yishuang Xu et al.

Summary: A new angular-dependent potential (ADP) was obtained for the Ni-Rh system by fitting experimental and first principle data, and its effectiveness was tested. The segregation characteristics and thermal stability of Ni-Rh nanoparticles were studied using Monte Carlo and molecular dynamics, revealing that the chemical ordering pattern of Ni1-xRhx nanoparticles is determined by the competition of different energy terms. The results also explain the reason behind the improvement in coking resistance and sintering-resistance ability of Ni catalyst with the doping of a small amount of Rh.

JOURNAL OF SOLID STATE CHEMISTRY (2022)

Article Materials Science, Multidisciplinary

ADP potential for the Au-Rh system and its application in element segregation of nanoparticles

Gang Wang et al.

Summary: The preferential segregation behavior of atoms in Au-Rh nanoparticles is influenced by surface energy, with Au atoms preferring lower coordination sites on the surface. Inside the nanoparticles, Au atoms tend to occupy positions with lower local pressure to release strain energy, while the system as a whole aims to reduce interface area to decrease interface energy. The final structure is determined by the competition between strain energy and interface energy.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Article Chemistry, Physical

Exploring the Stability of Fe-Ni Alloy Nanoparticles Exsolved from Double-Layered Perovskites for Dry Reforming of Methane

Alfonso J. Carrillo et al.

Summary: Exsolution from double-layered perovskites was evaluated as a dry reforming catalyst, showing that increased Ni content enhances nanoparticle dispersion and leads to higher CO2 and CH4 conversions. The exsolved nanoparticles demonstrated stability in size after treatment, suggesting potential use in more efficient catalysts for fuel production and energy conversion technologies.

CATALYSTS (2021)

Article Materials Science, Multidisciplinary

Vacancy concentration of films and nanoparticles

Gang Wang et al.

COMPUTATIONAL MATERIALS SCIENCE (2020)

Article Chemistry, Physical

Dry reforming of methane on Ni-Fe-MgO catalysts: Influence of Fe on carbon-resistant property and kinetics

Tingting Zhang et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2020)

Article Engineering, Chemical

Improved Effect of Fe on the Stable NiFe/Al2O3 Catalyst in Low-Temperature Dry Reforming of Methane

Zhiwen Song et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2020)

Review Green & Sustainable Science & Technology

A review on catalyst development for dry reforming of methane to syngas: Recent advances

Abdulrahman Abdulrasheed et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2019)

Article Materials Science, Multidisciplinary

The effects of size and shape on the structural and thermal stability of platinum nanoparticles

Gang Wang et al.

COMPUTATIONAL MATERIALS SCIENCE (2019)

Review Chemistry, Physical

A Review on Bimetallic Nickel-Based Catalysts for CO2 Reforming of Methane

Zhoufeng Bian et al.

CHEMPHYSCHEM (2017)

Article Thermodynamics

Modified embedded-atom interatomic potential for Fe-Ni, Cr-Ni and Fe-Cr-Ni systems

Changjun Wu et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2017)

Article Chemistry, Physical

Highly active and stable alumina supported nickel nanoparticle catalysts for dry reforming of methane

Zeyu Shang et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2017)

Article Chemistry, Physical

Carbon gasification from Fe-Ni catalysts after methane dry reforming

Stavros Alexandros Theofanidis et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2016)

Article Engineering, Environmental

Kinetic and mechanistic aspects for CO2 reforming of methane over Ni based catalysts

Yasotha Kathiraser et al.

CHEMICAL ENGINEERING JOURNAL (2015)

Article Chemistry, Physical

Enhanced Carbon-Resistant Dry Reforming Fe-Ni Catalyst: Role of Fe

Stavros Alexandros Theofanidis et al.

ACS CATALYSIS (2015)

Article Chemistry, Physical

The Fe-Ni system: Thermodynamic modelling assisted by atomistic calculations

G. Cacciamani et al.

INTERMETALLICS (2010)

Review Chemistry, Physical

Catalytic Technology for Carbon Dioxide Reforming of Methane to Synthesis Gas

Mun-Sing Fan et al.

CHEMCATCHEM (2009)

Article Materials Science, Multidisciplinary

Fe-Ni many-body potential for metallurgical applications

G. Bonny et al.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2009)

Review Materials Science, Multidisciplinary

Melting and superheating of crystalline solids: From bulk to nanocrystals

Q. S. Mei et al.

PROGRESS IN MATERIALS SCIENCE (2007)

Article Materials Science, Multidisciplinary

Angular-dependent interatomic potential for tantalum

Y. Mishin et al.

ACTA MATERIALIA (2006)

Review Thermodynamics

Assessments of molar volume and thermal expansion for selected bcc, fcc and hcp metallic elements

XG Lu et al.

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY (2005)

Article Materials Science, Multidisciplinary

Development of new interatomic potentials appropriate for crystalline and liquid iron

MI Mendelev et al.

PHILOSOPHICAL MAGAZINE (2003)

Article Chemistry, Physical

The melting lines of model systems calculated from coexistence simulations

JR Morris et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

G Henkelman et al.

JOURNAL OF CHEMICAL PHYSICS (2000)