Activity and Selectivity Trends in Electrocatalytic Nitrate Reduction on Transition Metals von Liu, Jin-Xun, Richards, Danielle, Singh, Nirala, Goldsmith, Bryan R

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Role of Electrocatalysis in the Remediation of Water Pollutants von Singh, Nirala, Goldsmith, Bryan R

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Machine learning for heterogeneous catalyst design and discovery von Goldsmith, Bryan R., Esterhuizen, Jacques, Liu, Jin‐Xun, Bartel, Christopher J., Sutton, Christopher

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New tolerance factor to predict the stability of perovskite oxides and halides von Bartel, Christopher J, Sutton, Christopher, Goldsmith, Bryan R, Ouyang, Runhai, Musgrave, Charles B, Ghiringhelli, Luca M, Scheffler, Matthias

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Surpassing the single-atom catalytic activity limit through paired Pt-O-Pt ensemble built from isolated Pt1 atoms von Wang, Hui, Liu, Jin-Xun, Allard, Lawrence F., Lee, Sungsik, Liu, Jilei, Li, Hang, Wang, Jianqiang, Wang, Jun, Oh, Se H., Li, Wei, Flytzani-Stephanopoulos, Maria, Shen, Meiqing, Goldsmith, Bryan R., Yang, Ming

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Understanding capacity fade in organic redox-flow batteries by combining spectroscopy with statistical inference techniques von Modak, Sanat Vibhas, Shen, Wanggang, Singh, Siddhant, Herrera, Dylan, Oudeif, Fairooz, Goldsmith, Bryan R., Huan, Xun, Kwabi, David G.

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Adsorption Energies of Oxygenated Aromatics and Organics on Rhodium and Platinum in Aqueous Phase von Akinola, James, Barth, Isaiah, Goldsmith, Bryan R, Singh, Nirala

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Uncovering structure-property relationships of materials by subgroup discovery von Goldsmith, Bryan R, Boley, Mario, Vreeken, Jilles, Scheffler, Matthias, Ghiringhelli, Luca M

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Recent advances in computational materials design: methods, applications, algorithms, and informatics von Pilania, Ghanshyam, Goldsmith, Bryan R., Yoon, Mina, Dongare, Avinash M.

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Synthesis and Characterization of a Cu14 Hydride Cluster Supported by Neutral Donor Ligands von Nguyen, Thuy-Ai D., Goldsmith, Bryan R., Zaman, Homaira T., Wu, Guang, Peters, Baron, Hayton, Trevor W.

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Clarifying trust of materials property predictions using neural networks with distribution-specific uncertainty quantification von Gruich, Cameron J, Madhavan, Varun, Wang, Yixin, Goldsmith, Bryan R

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Theoretical Investigation of the Potential-Dependent CO Adsorption on Copper Electrodes von Tran, Bolton, Goldsmith, Bryan R.

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High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing von Esterhuizen, Jacques A., Mathur, Aarti, Goldsmith, Bryan R., Linic, Suljo

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Rhodium Single‐Atom Catalysts on Titania for Reverse Water Gas Shift Reaction Explored by First Principles Mechanistic Analysis and Compared to Nanoclusters von Doherty, Francis, Goldsmith, Bryan R.

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Modeling plasma-induced surface charge effects on CO2 activation by single atom catalysts supported on reducible and irreducible metal oxides von Doherty, Francis, Goldsmith, Bryan R

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Surpassing the single-atom catalytic activity limit through paired Pt-O-Pt ensemble built from isolated Pt 1 atoms von Wang, Hui, Liu, Jin-Xun, Allard, Lawrence F, Lee, Sungsik, Liu, Jilei, Li, Hang, Wang, Jianqiang, Wang, Jun, Oh, Se H, Li, Wei, Flytzani-Stephanopoulos, Maria, Shen, Meiqing, Goldsmith, Bryan R, Yang, Ming

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Accelerating the structure search of catalysts with machine learning von Musa, Eric, Doherty, Francis, Goldsmith, Bryan R

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Thermodynamic Stability and Anion Ordering of Perovskite Oxynitrides von Young, Samuel D., Chen, Jiadong, Sun, Wenhao, Goldsmith, Bryan R., Pilania, Ghanshyam

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A Cu25 Nanocluster with Partial Cu(0) Character von Nguyen, Thuy-Ai D, Jones, Zachary R, Goldsmith, Bryan R, Buratto, William R, Wu, Guang, Scott, Susannah L, Hayton, Trevor W

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Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids von Goldsmith, Bryan R, Peters, Baron, Johnson, J. Karl, Gates, Bruce C, Scott, Susannah L

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