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Keyword [First-principles calculations]
Result: 121 - 140 | Page: 7 of 10
121. Influence Of Strain On Water Adsorption And Dissociation On RutileTiO2（110） Surface
122. The Microstructure, Properties Of Some Titanium Alloys And Sputtering Process Of Targets
123. Preparation, Microstructure And Mechanical Properties Of Zn-22wt.%Al Based Alloys And Tubes
124. Ferromagnetism Induced By Fluorination In Nanomaterials:First Principles Study
125. First-principles Calculations Of Phase Stability And Physical Properties Of Transitional Metals Boride
126. Theoretical Study On The Stress Modulation Effect Of The Structure And Physical Properties Of BC2 Compounds
127. Size-Dependent Fracture Strength Of Graphene Nanoribbons And Current-Voltage Characteristics Under Tension Stress
128. First-principles Calculations On Pd-TiO2 Single-atom Catalysis:Mechanism And Modulation
129. First-principles Study On TiO2 Codoped With Carbon And Metal Ions
130. Phase Stability, Stacking Fault Energy And Mechanical Properties Of Intermetallics From First-principles Calculations
131. Effects Of Refractory Elements On Phase Separation Behavior In Model Ni-Al-Cr Based Superalloys
132. First Principle Study On The Behavior Of Impurity H/He/C/N/O In Vanadium And Vanadium Alloy
133. Study Of Structure Design And Related Electronic Properties For Several Novel Two-dimensional Materials
134. Structure Design And Property Prediction On The Graphene-like Materials And Nanotubes
135. First-principles Calculations Of Rutile TiO2（110） Surface Properties Coupled With Adsorption
136. Theoretical Study On The Topological And Superconducting Properties Of The Low Dimensional Layered Material
137. Mech-Electro-Magnetic Properties Of Two-Dimensional Materials And Nanostructures
138. Study Of The Strain On The Characteristics Of ZnO-based Thin Films And Perovskite Heterostructures
139. Applications Of Density Functional Theory Calculations To The Study Of Nickel-based Hydrogen Evolution Electrodes
140. First-principles Study On Metal-insulator Transition Of VO2
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