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Catalytic Properties of Model Supported Nanoparticles

Recent advances in experimental synthesis and UHV/in situ/operando characterization mean that supported metal nanoclusters and clusters can be created with controlled size, shape and composition, and their catalytic properties can be explored with ever increasing precision. Advances in simulation techniques also mean that such clusters can be "synthesized"Â in a computer with increasing accuracy and realism in terms of structure, stability, and function. This along with their unique properties and huge potential for applications in areas such as catalysis, electrocatalysis, and photocatalysis mean that it is an exciting time for the field of supported metal nanoclusters.

Guest Editors: Charles Campbell, NÃºria LÃ³pez, Å tefan Vajda

EDITORIALS

Catalytic properties of model supported nanoparticles

Charles T. Campbell; Núria López; Stefan Vajda

10.1063/5.0007579

Surfaces, Interfaces, and Materials

Enhancing the understanding of the glycerol to lactic acid reaction mechanism over AuPt/TiO₂ under alkaline conditions

Christopher D. Evans; Mark Douthwaite; James H. Carter; Samuel Pattisson; Simon A. Kondrat; Donald Bethell; David W. Knight; Stuart H. Taylor; Graham J. Hutchings

10.1063/1.5128595

Surfaces, Interfaces, and Materials

Predicting metal–metal interactions. II. Accelerating generalized schemes through physical insights

Tej S. Choksi; Verena Streibel; Frank Abild-Pedersen

10.1063/1.5141378

Surfaces, Interfaces, and Materials

Predicting metal–metal interactions. I. The influence of strain on nanoparticle and metal adlayer stabilities

Verena Streibel; Tej S. Choksi; Frank Abild-Pedersen

10.1063/1.5130566

Surfaces, Interfaces, and Materials

Structural reversibility of Cu doped NU-1000 MOFs under hydrogenation conditions

Avik Halder; Sungsik Lee; Bing Yang; Michael J. Pellin; Stefan Vajda; Zhanyong Li; Ying Yang; Omar K. Farha; Joseph T. Hupp

10.1063/1.5130600

Surfaces, Interfaces, and Materials

Catalytic C₂H₂ synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS₂ and 2D-MoS₂ decorated with Mo clusters

Brett T. Young; Md Afjal Khan Pathan; Tao Jiang; Duy Le; Nikki Marrow; Trong Nguyen; Cody E. Jordan; Talat S. Rahman; Denisia M. Popolan-Vaida; Mihai E. Vaida

10.1063/1.5129712

Surfaces, Interfaces, and Materials

Morphology and chemical behavior of model CsO_x/Cu₂O/Cu(111) nanocatalysts for methanol synthesis: Reaction with CO₂ and H₂

Rebecca Hamlyn; Mausumi Mahapatra; Ivan Orozco; Adrian Hunt; Iradwikanari Waluyo; Michael G. White; Sanjaya D. Senanayake; José Rodriguez

10.1063/1.5129152

Theoretical Methods and Algorithms

A kinetic Monte Carlo-blueprint for oxygen reduction on oxide-supported PtNi nanoalloys

D. Schmidt; GG. Asara; F. Baletto

10.1063/1.5129670

Surfaces, Interfaces, and Materials

Synergetic effect on catalytic activity and charge transfer in Pt-Pd bimetallic model catalysts prepared by atomic layer deposition

Moon-Hyung Jang; Orhan Kizilkaya; A. Jeremy Kropf; Richard L. Kurtz; Jeffrey W. Elam; Yu Lei

10.1063/1.5128740

Atoms, Molecules, and Clusters

Hydrogenation of small hydrocarbons on MgO supported Pd nanoparticles: The A-E-model expanded

Maximilian Krause; Marian D. Rötzer; Andrew S. Crampton; Maximilian Huber; Ueli Heiz

10.1063/1.5129571

Surfaces, Interfaces, and Materials

Water-gas shift activity on Pt-Re surfaces and the role of the support

Amy J. Brandt; Thathsara D. Maddumapatabandi; Deependra M. Shakya; Kangmin Xie; Grant S. Seuser; Sharfa Farzandh; Donna A. Chen

10.1063/1.5128735

Surfaces, Interfaces, and Materials

First-principles investigation of electrochemical dissolution of Pt nanoparticles and kinetic simulation

Jing Zhu; Sulei Hu; Zhenhua Zeng; Wei-Xue Li

10.1063/1.5129631

Atoms, Molecules, and Clusters

Geometry control of size selected Pt clusters bound to Si substrate surface by cluster impact deposition

Nobuyuki Fukui; Hisato Yasumatsu

10.1063/1.5127566

Surfaces, Interfaces, and Materials

Distinct dependence on size of Pt and Rh nanoclusters on graphene/Pt(111) in the decomposition of methanol-d₄

A. S. Ansari; Zhao-Ying Chern; Pei-Yang Cai; Yen-Wen Huang; Guan-Jr Liao; Jeng-Han Wang; Meng-Fan Luo

10.1063/1.5125464

Surfaces, Interfaces, and Materials

Strong electrostatic adsorption of Pt onto SiO₂ partially overcoated Al₂O₃—Towards single atom catalysts

Zhenyu Bo; Lauren R. McCullough; Samuel Dull; M. Alexander Ardagh; Jie Wang; Justin Notestein

10.1063/1.5128934

Surfaces, Interfaces, and Materials

Charge transfer and spillover phenomena in ceria-supported iridium catalysts: A model study

Yaroslava Lykhach; Jan Kubát; Armin Neitzel; Nataliya Tsud; Mykhailo Vorokhta; Tomáš Skála; Filip Dvořák; Yuliia Kosto; Kevin C. Prince; Vladimír Matolín; Viktor Johánek; Josef Mysliveček; Jörg Libuda

10.1063/1.5126031

Surfaces, Interfaces, and Materials