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Chemical Engineering Combined DFT and Experimental Investigation of Surface Related Emission in CdS Quantum Dots [PDF]
Relating Structural Aspects of Bimetallic Pt3Cr1/C Nanoparticles to Their Electrocatalytic Activity, Stability, and Selectivity in the Oxygen Reduction Reaction – DFT study [PDF]
Robust non-carbon Ti0.7Ru0.3O2 support with co-catalytic functionality for Pt: enhances catalytic activity and durability for fuel cells – DFT study  [PDF]
Kinetically-Controlled Autocatalytic Chemical Process for Bulk Production of Bimetallic Core-Shell Structured Nanoparticles –DFT Study [PDF]
Mechanical Engineering Molecular Dynamics Simulate Nanoscratching of Copper Nickel Alloys [PDF]
Molecular Dynamics Study on Amorphous State and Mechanical Behaviors of Cu-W Alloys [PDF]