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DFT calculated Grain boundary energies fr…
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integran.com
Integran's Grain Boundary Engineerin
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High-throughput DFT screening of different metalloporphyrins a Periodic..…
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DFT simulation of graphene grain boundary energetics with methane... | Download Sci…
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Combined High-Throughput DFT and ML Screening of Transition Metal Nitrides fo…
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Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites | ACS …
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Evidence of wormhole precursors in the diffusion-induced grain boundar…
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Predicting grain boundary dislocation structures through multidimensional neural networks an…
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Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites | ACS Ene…
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Partitioning of Interstitial Segregants during Decohesion: A DFT Case St…
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Microstructure design for fast oxygen conductio…
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Figure 5 from A DFT+U study of the segregation of Pt to the CeO$_{2-x}$ $\Si…
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Simulation flow used in this work. Upper left: Band structure as...
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(a) Grain boundary energy dependence on the rotation angle for... | Download Scientific Diagram
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