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4 results in Authors: Marcos Calegari Andrade

Materials Chemistry

Understanding the Role of Hydroxyl Functionalization in Linear Poly(ethylenimine) for Oxidation-Resistant Direct Air Capture of CO2

Anthony J. Varni, Lucas S. Thigpen, Marcos F. Calegari Andrade, Maxwell A. T. Marple, Elwin Hunter-Sellars, Amitesh Maiti, Sichi Li, Simon H. Pang

Version 1 posted 07 November 2024

242

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Probing the Actives Sites of Oxide Encapsulated Electrocatalysts with Controllable Oxygen Evolution Selectivity

William D.H. Stinson, Robert S. Stinson, Jingjing Jin, Zejie Chen, Mingjie Xu, Fikret Aydin, Yinxian Wang, Marco F. Calegari Andrade, Xiaoqing Pan, Tuan Anh Pham, Katherine E. Hurst, Tadashi Ogitsu, Shane Ardo, Daniel V. Esposito

Version 1 posted 17 November 2023

329

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Theoretical and Computational Chemistry

Deep Neural Network Potential Demonstrates the Impact of Proton Transfer in CO2 Capture by Liquid Ammonia

Marcos Felipe Calegari Andrade, Sichi Li, Sneha Akhade, Simon Pang

Version 1 posted 07 June 2023

380

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Theoretical and Computational Chemistry

Understanding cation and surface charging effects at electrified interfaces using neural network interatomic potentials

Jiawei Guo, Marcos Calegari Andrade, Christopher Hahn, Ambarish Kulkarni, Nitish Govindarajan

Version 1 posted 10 April 2025

286

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