Thermodynamics and structural aspects of grain boundary segregation

P Lejček, S Hofmann - Critical Reviews in Solid State and Material …, 1995 - Taylor & Francis
Physical and chemical properties of solid materials are strongly. influenced by the chemical
composition of internal interfaces, One of the crucial parameters affecting interfacial …

Structure–activity relationships in catalysis by metals: some aspects of particle size, bimetallic and supports effects

B Coq, F Figueras - Coordination Chemistry Reviews, 1998 - Elsevier
Some aspects of particle size, bimetallic formulation and metal–support interaction on the
catalytic properties of supported metal catalysts in the hydrogenolysis of C–C and C …

[BOOK][B] Grain boundary segregation in metals

P Lejcek - 2010 - books.google.com
Grain boundaries are important structural components of polycrystalline materials used in
the vast majority of technical applications. Because grain boundaries form a continuous …

Calculation of the surface segregation of Ni-Cu alloys with the use of the embedded-atom method

SM Foiles - Physical Review B, 1985 - APS
The surface composition of Ni-Cu alloys has been calculated as a function of atomic layer,
crystal face, and bulk composition at a temperature of 800 K. The results show that the …

Bimetallic palladium catalysts: influence of the co-metal on the catalyst performance

B Coq, F Figueras - Journal of Molecular Catalysis A: Chemical, 2001 - Elsevier
An overview about the effect of co-metal on the performance of Pd in bimetallic catalysts is
presented. In the first part, the promotion of monometallic catalysts by addition of a second …

Surface energy and solute strain energy effects in surface segregation

P Wynblatt, RC Ku - Surface Science, 1977 - Elsevier
Previous models of surface segregation have generally been based on the assumption that
a decrease in surface free energy constitutes the predominant driving force for the …

Anisotropic surface segregation in Al Mg alloys

XY Liu, PP Ohotnicky, JB Adams, CL Rohrer… - Surface science, 1997 - Elsevier
A set of embedded-atom method (EAM) potentials for Al Mg alloys are developed using the
“force matching” method. The potentials are fitted to both experimental data and a massive …

Catalysis by alloys in hydrocarbon reactions

V Ponec - Advances in catalysis, 1983 - Elsevier
Publisher Summary This chapter discusses the catalysis by alloys in hydrocarbon reactions.
With solution alloys the effect of alloying on the electronic structure is surprisingly small, and …

Grain-boundary diffusion in metals

NL Peterson - International metals reviews, 1983 - journals.sagepub.com
The available models for grain-boundary diffusion are reviewed together with the relevant
mathematical techniques for extracting the grain-boundary diffusivity from the various types …

Extendable machine learning model for the stability of single atom alloys

KK Rao, QK Do, K Pham, D Maiti, LC Grabow - Topics in catalysis, 2020 - Springer
In this work, we aim to update the understanding of how impurity or promoter metals
segregate on metal surfaces, particularly in the application of single-atom alloys (SAA) for …