Ana L. Montero‐Alejo

Enhancing the stability of silicon anodes using polymer binders based on host-guest and hydrogen-bonding interactions: Do small changes in guest tether length matter?

Rudy Martín-Trasancos, Ana L. Montero‐Alejo, Mariela Ortiz, A. Sepúlveda et autres

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Enhancing the Stability of Silicon Anodes Using Polymer Binders Based on Host-Guest and Hydrogen-Bonding Interactions: Do Small Changes in Guest Tether Length Matter?

Rudy Martin‐Trasanco, Ana L. Montero‐Alejo, Mariela Ortiz, Andrés Sepúlveda et autres

Oligothiophene-Based Photovoltaic Materials for Organic Solar Cells: Exciton Properties by the CNDOL Fockian Approach

Alberto Guerra-Barroso, Yoana Pérez‐Badell, Ana L. Montero‐Alejo, Luís A. Montero

In this study, we apply the CNDOL/2SS approximate Fockian with the configuration interaction of singles (CIS) method to explore the excitonic properties of oligothiophene-based materials for organic solar cells. Our calculations of the excited states and charge density distributions of isolated chromophores …

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Experimental and theoretical insights into light confinement within 2D waveguides of alkylphenyl benzothiadiazole crystals

Iván Torres‐Moya, Mohammad Afsar Uddin, Sergio Gámez‐Valenzuela, Javier Álvarez‐Conde et autres

In this work, an experimental and theoretical investigation was carried out to explore the key factors influencing light transmission mechanisms in organic crystalline materials.

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Adamantane-Grafted Sodium Poly(acrylate) and Crosslinked β-Cyclodextrin polymers as Complementary Host-Guest Binders for Silicon Anodes: Does Adamantane Tether Length Matter?

Rudy Martin‐Trasanco, Ana L. Montero‐Alejo, Mariela Gisela Ortiz, Andrés Grau Sepúlveda et autres

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Impact of Ionic Modifications on Polyimide Properties for Gas Separation Applications

Sudhir Ravula, Fidel E. Rodríguez‐González, Pravin S. Shinde, Ana L. Montero‐Alejo et autres

In this study, we report the synthesis and investigate the structural and gas transport characteristics of polyimides containing an imidazole ring in the main chain. First, a neutral polyimide ( PI-Im-6FDA) was synthesized through polycondensation, followed by quaternation of the imidazole rings, …

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A hydration model of actinide complexes by exploring their multiple minima hypersurface: The case of uranyl cation

Alberto Guerra-Barroso, Yoana Pérez‐Badell, Ana L. Montero‐Alejo, María Elena Montero-Cabrera et autres

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Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties

Luís A. Montero, Ana L. Montero‐Alejo, Alán Aspuru‐Guzik, José M. Garcı́a de la Vega et autres

CNDOL is an a priori, approximate Fockian for molecular wave functions. In this study, we employ several modes of singly excited configuration interaction (CIS) to model molecular excitation properties by using four combinations of the one electron operator terms. Those options are …

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Alloy [FA,Cs]PbI3 perovskite surfaces: The role of surface cesium composition in stability and tolerance to defect formation

Ana L. Montero‐Alejo, María José Silva-Portales, Lucas Lodeiro, Eduardo Menéndez‐Proupin

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A Hydration Model of Actinide Complexes by Exploring Their Multiple Minima Hypersurface: The Case of Uranyl Cation

Luís A. Montero, Alberto Guerra-Barroso, Yoana Pérez‐Badell, Ana L. Montero‐Alejo et autres

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Effective Interfaces between Fullerene Derivatives and CH3NH3PbI3 to Improve Perovskite Solar Cell Performance

Ana L. Montero‐Alejo, Felipe Barría-Cáceres, Lucas Lodeiro, Eduardo Menéndez‐Proupin

Inverted hybrid perovskite solar cells using fullerene derivatives as an electron transport layer show high energy photoconversion efficiency and improvements in stability. In practice, a wide variety of fullerene derivative functional groups have been proposed, but there is still no clear understanding …

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Polymers of intrinsic microporosity containing aryl-phthalimide moieties: synthesis, modeling, and membrane gas transport properties

Fidel E. Rodríguez‐González, Cenit Soto, Laura Palacio, Ana L. Montero‐Alejo et autres

High-performance polymers for membrane gas separation require the careful design of the structure-porous relationship.

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