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Selective Passivation of GeO2/Ge Interface Defects in Atomic Layer Deposited High‑k MOS Structures
American Chemical Society | 2015|Keywords: first-principles modeling -
Potassium-Doped g‑C3N4 Achieving Efficient Visible-Light-Driven CO2 Reduction
American Chemical Society | 2020|Keywords: first-principles calculations -
MoS2 Quantum Dots as Efficient Catalyst Materials for the Oxygen Evolution Reaction
American Chemical Society | 2018|Keywords: first-principles calculations -
Ultralow Lattice Thermal Conductivity and Thermoelectric Properties of Monolayer Tl2O
American Chemical Society | 2019|Keywords: first principles -
Giant Thermoelectric Effect in Graphene-Based Topological Insulators with Heavy Adatoms and Nanopores
American Chemical Society | 2014|Keywords: first-principles calculations -
The Conversion Chemistry for High-Energy Cathodes of Rechargeable Sodium Batteries
American Chemical Society | 2019|Keywords: first-principles calculation -
Nanostructured Clathrate Phonon Glasses: Beyond the Rattling Concept
American Chemical Society | 2014|Keywords: first-principles calculations -
Super Large Sn1–x Se Single Crystals with Excellent Thermoelectric Performance
American Chemical Society | 2019|Keywords: First-principles calculations -
2D/2D Electrical Contacts in the Monolayer WSe2 Transistors: A First-Principles Study
American Chemical Society | 2019|Keywords: first-principles calculation -
High-Quality Large-Area Graphene from Dehydrogenated Polycyclic Aromatic Hydrocarbons
American Chemical Society | 2012|Keywords: first-principles -
Can Two-Dimensional Boron Superconduct?
American Chemical Society | 2016|Keywords: first-principles calculations -
Ultralow Lattice Thermal Conductivity in Double Perovskite Cs2PtI6: A Promising Thermoelectric Material
American Chemical Society | 2020|Keywords: first principles -
Nonlinear Optical Absorption of ReS2 Driven by Stacking Order
American Chemical Society | 2021|Keywords: first-principles calculations -
Theory of Structural Transformation in Lithiated Amorphous Silicon
American Chemical Society | 2014|Keywords: first-principles -
Exploring the Efficient Na/K Storage Mechanism and Vacancy Defect-Boosted Li+ Diffusion Based on VSe2/MoSe2 Heterostructure Engineering
American Chemical Society | 2021|Keywords: first-principles -
Doping-Induced Tunable Wettability and Adhesion of Graphene
American Chemical Society | 2016|Keywords: first-principles -
Spontaneous Magnetic Skyrmions in Single-Layer CrInX3 (X = Te, Se)
American Chemical Society | 2022|Keywords: first-principles -
Stoner Ferromagnetism in Hole-Doped CuMIIIAO2 with MIIIA = Al, Ga, and In
Free accessAmerican Chemical Society | 2021|Keywords: first-principles -
On the Inhibitor Effects of Bergamot Juice Flavonoids Binding to the 3-Hydroxy-3-methylglutaryl-CoA Reductase (HMGR) Enzyme
American Chemical Society | 2010|Keywords: statin-like principles -
Complicated and Unconventional Defect Properties of the Quasi-One-Dimensional Photovoltaic Semiconductor Sb2Se3
American Chemical Society | 2019|Keywords: first-principles calculations
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