Recent Developments in Graphene-Based Toxic Gas Sensors: A Theoretical Overview
Cruz-Martínez, Heriberto, Rojas-Chávez, Hugo, Montejo-Alvaro, Fernando, Peña-Castañeda, Yesica A, Matadamas-Ortiz, Pastor T, Medina, Dora I
Published in Sensors (Basel, Switzerland) (11.03.2021)
Published in Sensors (Basel, Switzerland) (11.03.2021)
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Journal Article
Oriented-Attachment- and Defect-Dependent PbTe Quantum Dots Growth: Shape Transformations Supported by Experimental Insights and DFT Calculations
Rojas-Chávez, Hugo, Miralrio, Alan, Cruz-Martínez, Heriberto, Carbajal-Franco, Guillermo, Valdés-Madrigal, Manuel A
Published in Inorganic chemistry (17.05.2021)
Published in Inorganic chemistry (17.05.2021)
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Journal Article
Density Functional Theory-Based Approaches to Improving Hydrogen Storage in Graphene-Based Materials
Cruz-Martínez, Heriberto, García-Hilerio, Brenda, Montejo-Alvaro, Fernando, Gazga-Villalobos, Amado, Rojas-Chávez, Hugo, Sánchez-Rodríguez, Elvia P
Published in Molecules (Basel, Switzerland) (01.01.2024)
Published in Molecules (Basel, Switzerland) (01.01.2024)
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Journal Article
Pt-Free Metal Nanocatalysts for the Oxygen Reduction Reaction Combining Experiment and Theory: An Overview
Cruz-Martínez, Heriberto, Guerra-Cabrera, Wilbert, Flores-Rojas, Ernesto, Ruiz-Villalobos, Dunia, Rojas-Chávez, Hugo, Peña-Castañeda, Yesica A., Medina, Dora I.
Published in Molecules (Basel, Switzerland) (05.11.2021)
Published in Molecules (Basel, Switzerland) (05.11.2021)
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Journal Article
A Comparative DFT Study on Process Control Agents in the Mechanochemical Synthesis of PbTe
Rojas-Chávez, Hugo, Miralrio, Alan, Juárez-García, José M., Carbajal-Franco, Guillermo, Cruz-Martínez, Heriberto, Montejo-Alvaro, Fernando, Valdés-Madrigal, Manuel A.
Published in International journal of molecular sciences (01.10.2022)
Published in International journal of molecular sciences (01.10.2022)
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Journal Article
CO2 Adsorption over 3d Transition-Metal Nanoclusters Supported on Pyridinic N3-Doped Graphene: A DFT Investigation
Montejo-Alvaro, Fernando, Martínez-Espinosa, Jesus A., Rojas-Chávez, Hugo, Navarro-Ibarra, Diana C., Cruz-Martínez, Heriberto, Medina, Dora I.
Published in Materials (04.09.2022)
Published in Materials (04.09.2022)
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Journal Article
Stability, Energetic, and Reactivity Properties of NiPd Alloy Clusters Deposited on Graphene with Defects: A Density Functional Theory Study
Martínez-Vargas, Adrián, Vásquez-López, Alfonso, Antonio-Ruiz, Carlos D., Cruz-Martínez, Heriberto, Medina, Dora I., Montejo-Alvaro, Fernando
Published in Materials (05.07.2022)
Published in Materials (05.07.2022)
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Journal Article
Carbon Material-Reinforced Polymer Composites for Bipolar Plates in Polymer Electrolyte Membrane Fuel Cells
Gomez-Sanchez, Alejandro, Franco-Luján, Víctor A, Alfaro-López, Hilda M, Hernández-Sánchez, Laura, Cruz-Martínez, Heriberto, Medina, Dora I
Published in Polymers (01.03.2024)
Published in Polymers (01.03.2024)
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Journal Article
CO2 Adsorption on PtCu Sub-Nanoclusters Deposited on Pyridinic N-Doped Graphene: A DFT Investigation
Montejo-Alvaro, Fernando, González-Quijano, Diego, Valmont-Pineda, Jorge A., Rojas-Chávez, Hugo, Juárez-García, José M., Medina, Dora I., Cruz-Martínez, Heriberto
Published in Materials (10.12.2021)
Published in Materials (10.12.2021)
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Journal Article
A Trimetallic Pt2NiCo/C Electrocatalyst with Enhanced Activity and Durability for Oxygen Reduction Reaction
Alfaro-López, Hilda M., Valdés-Madrigal, Manuel A., Rojas-Chávez, Hugo, Cruz-Martínez, Heriberto, Padilla-Islas, Miguel A., Tellez-Cruz, Miriam M., Solorza-Feria, Omar
Published in Catalysts (01.02.2020)
Published in Catalysts (01.02.2020)
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Journal Article
On the growth behavior, structures, energy, and magnetic properties of bimetallic MnPdn (M = Co, Ni; n = 1–10) clusters
Cruz-Martínez, Heriberto, Cervantes-Flores, Aldo, Solorza-Feria, Omar, Medina, Dora I., Calaminici, Patrizia
Published in Theoretical chemistry accounts (2021)
Published in Theoretical chemistry accounts (2021)
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Journal Article
A first-principles study of NinPdn (n = 1 − 5) clusters
Cervantes-Flores, Aldo, Cruz-Martínez, Heriberto, Solorza-Feria, Omar, Calaminici, Patrizia
Published in Journal of molecular modeling (01.05.2017)
Published in Journal of molecular modeling (01.05.2017)
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Journal Article
Role of Defect Engineering and Surface Functionalization in the Design of Carbon Nanotube-Based Nitrogen Oxide Sensors
Valdés-Madrigal, Manuel A, Montejo-Alvaro, Fernando, Cernas-Ruiz, Amelia S, Rojas-Chávez, Hugo, Román-Doval, Ramon, Cruz-Martinez, Heriberto, Medina, Dora I
Published in International journal of molecular sciences (30.11.2021)
Published in International journal of molecular sciences (30.11.2021)
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Journal Article
First-principle study of the structures, growth pattern, and properties of (Pt 3 Cu) n , n = 1-9, clusters
Galindo-Uribe, Carlos Daniel, Calaminici, Patrizia, Cruz-Martínez, Heriberto, Cruz-Olvera, Domingo, Solorza-Feria, Omar
Published in The Journal of chemical physics (21.04.2021)
Published in The Journal of chemical physics (21.04.2021)
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Journal Article
On the growth behavior, structures, energy, and magnetic properties of bimetallic $$\hbox {M}_{{n}}\hbox {Pd}_{{n}}$$ (M = Co, Ni; n = 1–10) clusters
Cruz-Martínez, Heriberto, Cervantes-Flores, Aldo, Solorza-Feria, Omar, Medina, Dora I., Calaminici, Patrizia
Published in Theoretical chemistry accounts (01.05.2021)
Published in Theoretical chemistry accounts (01.05.2021)
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Journal Article