9 citations · 15 across the 6 of their papers we have counts for
9 papers
Preparation sequence controls oxygen partitioning between boron and lithium on tungsten
Predrag S Krstic, Meral Sharkass, Swarit Dwivedi +3
Classical reactive molecular dynamics of boron- and lithium-conditioned tungsten surfaces show that the order in which boron and oxygen are introduced - not the boron inventory - c…
Ferroelectric Switching in ZnO/Zn1-xMgxO Heterostructures: Atomistic Insights into Interfacial Coupling and Layer Architecture
Alireza Sepehrinezhad, Ali Mohammadi Dinani, Ece Gunay +4
Ferroelectric switching in heterostructures couples composition, layer topology, temperature, and interfacial boundary conditions. ReaxFF molecular dynamics isolates these variable…
Development of an eReaxFF Force Field for BZY20 Solid Oxide Electrocatalysis
Md Jamil Hossain, Prashik Gaikwad, Yun Kyung Shin +6
Electrocatalysis is a catalytic process where the rate of an electrochemical reaction occurring at the electrode-electrolyte interface can be controlled by varying the electrical p…
Thermally Induced Structural Evolution and Nanoscale Interfacial Dynamics in Layered Metal Chalcogenides
Parivash Moradifar, Tao Wang, Nadire Nayir +5
Layered chalcogenides including Bi2Te3, Sb2Te3, Bi-Sb-Te ternary alloys and heterostructures are known as great thermoelectric, topological insulators and recently highlighted as p…
Tunable Two-Dimensional Group-III Metal Alloys
Siavash Rajabpour, Alexander Vera, Wen He +20
Chemically stable quantum-confined 2D metals are of interest in next-generation nanoscale quantum devices. Bottom-up design and synthesis of such metals could enable the creation o…
ReaxFF Reactive Force Field Development for Cu/Si Systems and application to Copper Cluster Formation During Cu Diffusion Inside Silicon
Kamyar Akbari Roshan, Mahdi Khajeh Talkhoncheh, Jonathan E. Mueller +2
Transition metal impurities such as nickel, copper, and iron, in solid-state materials like silicon have a significant impact on the electrical performance of integrated circuits a…