Modeling Diffusion in Functional Materials: From Density Functional Theory to Artificial Intelligence von Elbaz, Yuval, Furman, David, Caspary Toroker, Maytal

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Selective ligand removal to improve accessibility of active sites in hierarchical MOFs for heterogeneous photocatalysis von Naghdi, Shaghayegh, Cherevan, Alexey, Giesriegl, Ariane, Guillet-Nicolas, Rémy, Biswas, Santu, Gupta, Tushar, Wang, Jia, Haunold, Thomas, Bayer, Bernhard Christian, Rupprechter, Günther, Toroker, Maytal Caspary, Kleitz, Freddy, Eder, Dominik

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Operando X‐Ray Absorption Spectroscopy Shows Iron Oxidation Is Concurrent with Oxygen Evolution in Cobalt–Iron (Oxy)hydroxide Electrocatalysts von Enman, Lisa J., Stevens, Michaela Burke, Dahan, Meir Haim, Nellist, Michael R., Toroker, Maytal Caspary, Boettcher, Shannon W.

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Simulations to Cover the Waterfront for Iron Oxide Catalysis von Snir, Nadav, Caspary Toroker, Maytal

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Breakdown of the Small‐Polaron Hopping Model in Higher‐Order Spinels von Bhargava, Anuj, Eppstein, Roni, Sun, Jiaxin, Smeaton, Michelle A., Paik, Hanjong, Kourkoutis, Lena F., Schlom, Darrell G., Caspary Toroker, Maytal, Robinson, Richard D.

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The effect of interlayer stacking arrangements in two dimensional NiOOH on water oxidation catalysis von Yohanan, Eitan, Caspary Toroker, Maytal

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Electron Transport in Pure and Doped Hematite von Liao, Peilin, Toroker, Maytal Caspary, Carter, Emily A

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Hydrogen transfer through different crystal phases of nickel oxy/hydroxide von Elbaz, Yuval, Furman, David, Caspary Toroker, Maytal

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Play the heavy: An effective mass study for α-Fe2O3 and corundum oxides von Neufeld, Ofer, Caspary Toroker, Maytal

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Theoretical Investigation of Dielectric Materials for Two‐Dimensional Field‐Effect Transistors von Teitz, Liora, Caspary Toroker, Maytal

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From density functional theory to machine learning predictive models for electrical properties of spinel oxides von Elbaz, Yuval, Caspary Toroker, Maytal

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The Emergence of 2D Building Units in Metal‐Organic Frameworks for Photocatalytic Hydrogen Evolution: A Case Study with COK‐47 von Ayala, Pablo, Naghdi, Shaghayegh, Nandan, Sreejith P., Myakala, Stephen Nagaraju, Rath, Jakob, Saito, Hikaru, Guggenberger, Patrick, Lakhanlal, Lakhanlal, Kleitz, Freddy, Toroker, Maytal Caspary, Cherevan, Alexey, Eder, Dominik

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Theoretical understanding of graphene supported hematite photoanode for solar-driven water splitting applications von Bhattacharya, Labanya, Cohen, Avi, Caspary Toroker, Maytal

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Toward Settling the Debate on the Role of Fe2O3 Surface States for Water Splitting von Yatom, Natav, Neufeld, Ofer, Caspary Toroker, Maytal

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Optimization of Ni−Co−Fe‐Based Catalysts for Oxygen Evolution Reaction by Surface and Relaxation Phenomena Analysis von Attias, Rinat, Vijaya Sankar, Kalimuthu, Dhaka, Kapil, Moschkowitsch, Wenjamin, Elbaz, Lior, Caspary Toroker, Maytal, Tsur, Yoed

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Controlling Water Oxidation Catalysis through Interlayer Arrangements and Vacancies toward Producing Clean Hydrogen von Yohanan, Eitan, Caspary Toroker, Maytal

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Factors influencing charge transport at perovskite–charge transport layer interfaces: current strategies, challenges, and perspectives based on first-principles studies von Bhattacharya, Labanya, Caspary Toroker, Maytal

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The Effect of Fe and Co Additions on the Efficiency of NiOOH Catalyst Under Strain von Hamal, Ester Korkus, Toroker, Maytal Caspary

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Communication: Nickel hydroxide as an exceptional deviation from the quantum size effect von Nagli, Michael, Caspary Toroker, Maytal

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Engineering Band Edge Positions of Nickel Oxyhydroxide through Facet Selection von Fidelsky, Vicky, Caspary Toroker, Maytal

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