Adsorption and Photocatalytic Degradation of Methylene Blue in Carbon Nanotubes: A Review with Bibliometric Analysis

Hugo Albeiro Saldarriaga Noreña MARIO ALFONSO MURILLO TOVAR JOSEFINA VERGARA SANCHEZ JEANNETE RAMIREZ APARICIO Lorena Magallón Cacho MARIA LUISA GARCIA BETANCOURT (2023, [Artículo])

Wastewater-containing dyes are an environmental problem. The prime source of dye pollutants is the textile industry, such as paper manufacturing, food processing, leather, pigments, etc. Dye removal from wastewater using nanotechnology has received attention in recent decades thanks to efficient nanomaterials improving traditional technologies. In recent years, multiple research reports on carbon nanotubes for dye removal and photocatalytic dye degradation provided substantial insight into the comprehension of nanotechnology and remediation. This work presents a review and bibliometric analysis of carbon nanotubes for dye removal and photocatalytic dye degradation, which have an environmental impact today. The bibliometric study showed that the current research tendency on carbon nanotubes applied in dye removal and photocatalysis is still growing. According to research, this work observed that carbon nanotubes for dye removal exhibit high removal and efficient photocatalysis activity, indicating the functionality of nanotechnology for environmental remediation. The analysis of the parameters involved in the removal studies, such as temperature and pH, showed adsorption behavior. The photodegradation of methylene blue demonstrated the photocatalytic activity of carbon nanotubes attributed to the sp2 lattice of graphitic configuration.

BIOLOGÍA Y QUÍMICA QUÍMICA adsorption; carbon nanotubes; methylene blue; photocatalysis; photodegradation of methylene blue

Impacto de COVID-19 sobre el consumo eléctrico de las PYMES de la Zona Metropolitana de Aguascalientes

Alonso Darío Pizarro Lagunas (2021, [Tesis de maestría])

La irrupción de COVID-19 en el escenario mundial no sólo se convirtió en una crisis de salud pública sino una crisis económica que tuvo efectos heterogéneos en muchos países en el mundo. En particular, muchas economías experimentaron una fuerte contracción en su producto interno bruto debido en gran parte a las medidas de distanciamiento social y restricción de actividades no esenciales que los países adoptaron para proteger la salud de sus habitantes. Esto afectó al sector eléctrico, ya que muchas industrias disminuyeron su consumo energético. En México, las pequeñas y medianas empresas representan una parte importante del consumo eléctrico de la industria. En este sentido, tomando una muestra representativa de pequeños y medianos establecimientos de la Zona Metropolitana de Aguascalientes estudiamos el comportamiento del consumo eléctrico de estas empresas notando que hubo caídas significativas del consumo eléctrico cuando irrumpió la pandemia en marzo de 2020 en la ZMA. Además, notamos que la caída en consumo eléctrico fue más pronunciada para establecimientos en el sector de servicios que establecimientos en el sector de comercios durante la pandemia. Además, se concluye que las disminuciones en la jornada laboral jugaron un papel importante en esta contracción, mientras que las medidas como digitalización y reducción de empleados no estuvieron relacionadas con la variación de consumo eléctrico en estos pequeños y medianos establecimientos.

Small business -- Energy consumption -- Effect of COVID-19 Pandemic, 2020- on -- Aguascalientes (Mexico) -- Econometric models. COVID-19 Pandemic, 2020- -- Aguascalientes (Mexico) -- Economic aspects. CIENCIAS SOCIALES CIENCIAS SOCIALES

Spatial Effects of Urban Transport on Air Pollution in Metropolitan Municipalities of Mexico

GERZAIN AVILES POLANCO Marco Antonio Almendárez Hernández Luis Felipe Beltrán Morales Alfredo Ortega Rubio (2022, [Artículo])

"The objective of this work was to estimate the local effects and spatial spillover effects of the number of vehicles, use of urban public transport, and population density on nitrogen oxide emissions for 405 metropolitan municipalities in Mexico in 2016. To this end, a Spatial Durbin Model was estimated. We found positive direct effects of the number of vehicles and population density and negative direct effects of the use of urban public transport. The number of vehicles in circulation had negative spillover effects on the nitrogen oxide emissions of neighboring municipalities. These results indicate that the design of public policy programs aimed at reducing air pollution in Mexico should be based on coordination across metropolitan municipalities."

private car transportation, air pollution, nitrogen oxide emissions, spatial spillover effects, metropolitan municipalities CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA CIENCIAS DE LA TIERRA Y DEL ESPACIO METEOROLOGÍA CONTAMINACIÓN ATMOSFÉRICA CONTAMINACIÓN ATMOSFÉRICA

Vibrissa growth rate in California sea lions based on environmental and isotopic oscillations

MARTHA PATRICIA ROSAS HERNANDEZ (2018, [Artículo])

Pinniped vibrissae provide information on changes in diet at seasonal and annual scales; however, species-specific growth patterns must first be determined in order to interpret these data. In this study, a simple linear model was used to estimate the growth rate of vibrissae from adult female California sea lions (Zalophus californianus) from San Esteban Island in the Gulf of California, Mexico. The δ15N and δ13C values do not display a marked oscillatory pattern that would permit direct determination of the time period contained in each vibrissa; thus, time (age) was calculated in two ways: 1) based on the correlation between the observed number of peaks (Fourier series) in the δ15N profile and the length of each vibrissa, and 2) through direct comparison with the observed number of peaks in the δ15N profile. Cross-correlation confirmed that the two peaks in the δ15N profile reflected the two peaks in the chlorophyll-a concentration recorded annually around the island. The mean growth rate obtained from the correlation was 0.08 ± 0.01 mm d-1, while that calculated based on the observed number of peaks was 0.10 ± 0.05 mm d-1. Both are consistent with the rates reported for adult females of other otariid species (0.07 to 0.11 mm d-1). Vibrissa growth rates vary by individual, age, sex, and species; moreover, small differences in the growth rate can result in significant differences over the time periods represented by the isotopic signal. Thus, it is important to assess this parameter on a species-by-species basis. © 2018 Rosas-Hernández et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

carbon, nitrogen, animal, California, chemistry, diet, female, island (geological), Mexico, Otariidae, physiology, Animals, California, Carbon Isotopes, Diet, Female, Islands, Mexico, Nitrogen Isotopes, Sea Lions CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA CIENCIAS DE LA TIERRA Y DEL ESPACIO OCEANOGRAFÍA OCEANOGRAFÍA

Cell carbon content and biomass assessments of dinoflagellates and diatoms in the oceanic ecosystem of the Southern Gulf of Mexico

LORENA PATRICIA LINACRE ROJAS (2021, [Objeto de congreso])

This study assessed the cell carbon content and biomass for genera of dinoflagellates and diatoms in the oceanic ecosystem of the Southern Gulf of Mexico. Carbon content estimates were based on biovolume calculations derived from linear dimension measurements of individual cells and the approximate geometric body shape of each genus. Then, biomass assessments were performed for both groups in two gulf regions (Perdido and Coatzacoalcos) using these carbon content factors and cell abundances. After four seasonal cruises, 11,817 cells of dinoflagellates and 3,412 cells of diatoms were analyzed. Diverse body shapes and cell sizes were observed among 46 dinoflagellate genera and 37 diatom genera. Nano-cells of dinoflagellates (68% <20 μm) and micro-cells of diatoms (77% 20–200 μm, mostly 50–75 μm) were predominant. According to this cell-size structure, on average, diatoms contained 40% more carbon per cell than dinoflagellates. Contrasting carbon content estimates were observed within the genera of both microalgae. Large carbon averages (>10,000 pg C cell-1) were attributed to Gonyaulacal and some occasional genera of dinoflagellates (e.g., Pyrocystis and Noctiluca) and centric diatoms. In contrast, values up to 3 orders of magnitude lower were found for Peridinial and Gymnodinial dinoflagellates and pennate diatoms. Based on these carbon content estimates, which can be considered representative for most of this oceanic ecosystem, seasonal and regional differences were found in the biomass assessments conducted for these functional groups. Overall, dinoflagellates (mostly low-carbon Gymnodinales) had larger depth-integrated biomass than diatoms (mainly rich-carbon centric forms) within the euphotic zone. An exception to it was the late-summer cruise at the Coatzacoalcos region when a surface bloom of centric diatoms was observed in stations influenced by river runoff. This work contributes useful reference information for future ecological studies and models for understanding the biogeochemical functioning of this open-ocean ecosystem. © 2021 Linacre et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Carbon, biomass, Oceanic ecosystem, Southern Gulf of Mexico, Mexico CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA CIENCIAS DE LA TIERRA Y DEL ESPACIO OCEANOGRAFÍA OCEANOGRAFÍA

Trophic ecology of Mexican Pacific harbor seal colonies using carbon and nitrogen stable isotopes

MARICELA JUAREZ RODRIGUEZ (2020, [Artículo])

There is limited information that provides a comprehensive understanding of the trophic ecology of Mexican Pacific harbor seal (Phoca vitulina richardii) colonies. While scat analysis has been used to determine the diet of some colonies, the integrative characterization of its feeding habits on broader temporal and spatial scales remains limited. We examined potential feeding grounds, trophic niche width, and overlap, and inferred the degree of dietary specialization using stable carbon and nitrogen isotope ratios (δ13C and δ15N) in this subspecies. We analyzed δ13C and δ15N on fur samples from pups collected at five sites along the western coast of the Baja California Peninsula, Mexico. Fur of natal coat of Pacific harbor seal pups begins to grow during the seventh month in utero until the last stage of gestation. Therefore pup fur is a good proxy for the mother's feeding habits in winter (∼December to March), based on the timing of gestation for the subspecies in this region. Our results indicated that the δ13C and δ15N values differed significantly among sampling sites, with the highest mean δ15N value occurring at the southernmost site, reflecting a well-characterized north to south latitudinal 15N-enrichment in the food web. The tendency identified in δ13C values, in which the northern colonies showed the most enriched values, suggests nearshore and benthic-demersal feeding habits. A low variance in δ13C and δ15N values for each colony (<1‰) and relatively small standard ellipse areas suggest a specialized foraging behavior in adult female Pacific harbor seals in Mexican waters. © 2020 Juárez-Rodríguez et al.

carbon, delta carbon 13, delta nitrogen 15, isotope, nitrogen, unclassified drug, carbon, nitrogen, Article, correlational study, feeding behavior, latitude, Mexico, nonhuman, organism colony, Pinnipedia, population abundance, species richness, troph BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOLOGÍA ANIMAL (ZOOLOGÍA) BIOLOGÍA ANIMAL (ZOOLOGÍA)

Effects of Paralytic Shellfish Toxins on marine mammals, seabirds and geoduck fisheriesin the Northern Gulf of California during 2015-2019

Efectos de las toxinas paralizantes en mamíferos y aves marinas, y en las pesqueríasde almeja generosa del Norte del Golfo de California durante 2015-2019

Jennifer Medina Elizalde (2021, [Tesis de doctorado])

Paralytic Shellfish Toxins (PSTs) are a group of neurotoxins produced by some marine dinoflagellates species. During the harmful algal blooms (HABs) of these species, PSTs accumulate in bivalves which become the main vector of the toxins to humans. Paralytic Shellfish Poisoning (PSP) is the most important shellfish toxin syndrome in Mexico related to HABs and the only one associated with human fatalities. At least four HABs of Gymnodinium catenatum occurred in the Northern Gulf of California (NGC) between 2015 and 2019. In 2015, a G. catenatum HAB caused multispecies mass mortalities of sea mammals and seabirds. More than 1,000 seabirds and 240 marine mammals were affected. Also, the intoxication of at least five people were associated with this HAB. The presence of G. catenatum was registered from January to May. The sardine “bocona” (Cetengraulis mysticetus) was the main vector of the PSTs to animals. Economic activities have been also impacted by HABs in the NGC. Multiple prohibitions (sanitary bans) to the harvesting and exportation of the geoduck clam Panopea globosa have been implemented in the region. The metabolism of the PSTs in the siphon and visceral mass was characterized, this information is necessary when creating management plans for this important fishery. A maximum toxicity of 16,740 µgSTX eq Kg-1 was detected on the visceral mass, with a depuration rate of 4.3% day-1. C1&2 were the most abundant analogues detected in geoduck samples collected during the HAB appearance. The concentration of these analogues decreased in the first weeks, and the more toxic analogues GTX5, dcGTX3 and dcSTX were detected. Five and seven months after the occurrence of the HAB, M-type analogues and STX were detected also in the visceral mass of the clams. This is the first description of the biotransformation of PST in P. globlosa. Monitoring of PSTs levels in bivalves, and particularly during HABs requires reliable results in a short period of time. To meet analytic demands, Mexican Health Authorities implemented the Scotia Rapid Testing (SRT). SRT and HPLC-PCOX, the reference methodology in the US and Canada, were compared with the mouse bioassay (MBA), the reference methodology in Mexico. The good correlation (R2=0.91) between HPLC-PCOX and MBA indicates that HPLC-PCOX is suitable for monitoring PSTs in P. globosa. However, it was found that STR was not an accurate methodology as more than 67% of false positives were registered. G. catenatum HABs have occurr

Las toxinas paralizantes (PST) son un grupo de neurotoxinas producidas por algunas especies de dinoflagelados marinos. Durante los Florecimientos Algales Nocivos (FAN) de estas especies, las PST se acumulan en bivalvos, que son el principal vector de las toxinas al hombre. La intoxicación paralizante por consumo de mariscos (PSP) es el síndrome asociado a toxinas en moluscos producidas por FAN más importante en México, y el único relacionado con muertes humanas. Al menos cuatro FANs de Gymnodinium catenatum ocurrieron en el norte del Golfo de California (NGC) entre 2015 y 2019. En 2015, el FAN provocó la mortalidad de más de 1,000 aves y 240 mamíferos marinos de distintas especies. Además, al menos 5 personas presentaron síntomas de intoxicación PSP. G. catenatum se registró de enero a mayo. La sardina “bocona” (Cetengraulis mysticetus) fue el principal vector de las PST hacia los animales. Las actividades económicas también se han visto afectadas por los FAN en el NGC debido a la implementación de vedas a la pesca y exportación de la almeja generosa Panopea globosa. En este trabajo, se caracterizó el metabolismo de las PST en el sifón y la masa visceral de la almeja, esta información es necesaria para la elaboración de planes de manejo para esta importante pesquería. La toxicidad máxima detectada fue 16,740 µg STXeq Kg-1 en la masa visceral, con una tasa de depuración de 4.3% día-1. C1&2 fueron los análogos más abundantes en muestras recolectadas al inicio del FAN, su concentración disminuyó en las primeras semanas y los análogos más tóxicos GTX5, dcGTX3 y dcSTX fueron detectados. Cinco y siete meses después de la aparición del FAN, se detectaron análogos de tipo M y STX. Esta es la primera descripción de la biotransformación de PSTs en P. globlosa. El monitoreo de las toxinas en bivalvos, particularmente durante un FAN, requiere la generación de resultados confiables en poco tiempo. Para satisfacer las demandas analíticas, las autoridades mexicanas implementaron el uso de Scotia Rapid Testing (SRT). En este trabajo, se compararon SRT y HPLC-PCOX, la metodología de referencia en EE.UU. y Canadá, con el bioensayo en ratón (MBA), la metodología de referencia en México. La buena correlación (R2 = 0.91) entre HPLC-PCOX y MBA indica que HPLC-PCOX es adecuado para monitorear PSTs en P. globosa, mientras que STR no es una metodología precisa ya que se registraron más de 67% de falsos positivos. Los FAN de G. catenatum se han producido en el NGC entre enero ...

Harmful Algae Bloom, Gymnodinium catenatum, Panopea globosa, HPLC-PCOX, Mousse Bioassay Florecimientos algales nocivos, Gymnodinium catenatum, Panopea globosa, HPLCPCOX, Bioensayo en ratón BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA CIENCIAS DE LA VIDA

Vibrissa growth rate in California sea lions based on environmental and isotopic oscillations

MARTHA PATRICIA ROSAS HERNANDEZ (2018, [Artículo])

Pinniped vibrissae provide information on changes in diet at seasonal and annual scales; however, species-specific growth patterns must first be determined in order to interpret these data. In this study, a simple linear model was used to estimate the growth rate of vibrissae from adult female California sea lions (Zalophus californianus) from San Esteban Island in the Gulf of California, Mexico. The δ15N and δ13C values do not display a marked oscillatory pattern that would permit direct determination of the time period contained in each vibrissa; thus, time (age) was calculated in two ways: 1) based on the correlation between the observed number of peaks (Fourier series) in the δ15N profile and the length of each vibrissa, and 2) through direct comparison with the observed number of peaks in the δ15N profile. Cross-correlation confirmed that the two peaks in the δ15N profile reflected the two peaks in the chlorophyll-a concentration recorded annually around the island. The mean growth rate obtained from the correlation was 0.08 ± 0.01 mm d-1, while that calculated based on the observed number of peaks was 0.10 ± 0.05 mm d-1. Both are consistent with the rates reported for adult females of other otariid species (0.07 to 0.11 mm d-1). Vibrissa growth rates vary by individual, age, sex, and species; moreover, small differences in the growth rate can result in significant differences over the time periods represented by the isotopic signal. Thus, it is important to assess this parameter on a species-by-species basis. © 2018 Rosas-Hernández et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

carbon, nitrogen, animal, California, chemistry, diet, female, island (geological), Mexico, Otariidae, physiology, Animals, California, Carbon Isotopes, Diet, Female, Islands, Mexico, Nitrogen Isotopes, Sea Lions BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA INMUNOLOGÍA INMUNOLOGÍA

Modelo híbrido de sistemas energéticos para la evaluación del uso de energías renovables

Carlos Iván Torres González (2020, [Tesis de maestría])

En este trabajo proponemos un modelo híbrido para evaluar diferentes escenarios de generación de electricidad con energías renovables que maximiza el bienestar social desde la perspectiva económica contemplando un enfoque técnico sobre la estructura de costos de producción de electricidad. Adicionalmente, realizamos 2 simulaciones del modelo propuesto al sistema eléctrico de Baja California Sur para 10 períodos, contemplando 4 escenarios de producción limpia diferentes. De los resultados observados en ambas simulaciones podemos remarcar 2 puntos en términos de políticas públicas. El primer punto es la importancia de tener múltiples generadores que funcionen con combustibles renovables si se desea producir una proporción significativa de electricidad con FER. El segundo punto es el trade-off entre bienestar y emisiones de CO2. Los resultados sugieren que el aumento del consumo de electricidad es un elemento importante para aumentar el bienestar social. A su vez, el aumento de consumo eléctrico implica un aumento de producción, y por tanto un aumento de emisiones de CO2. Los resultados de la segunda simulación sugieren que con el aumento de la capacidad de generación limpia y costos eficientes, se pueden alcanzar niveles de bienestar casi iguales a los tradicionales, pero con la mitad de emisiones de CO2.

Electric power production -- Effect of renewable energy sources on -- Mexico -- Baja California Sur (State) -- 2015 -- Mathematical models. Carbon dioxide mitigation -- Effect of renewable energy sources on -- Mexico -- Baja California Sur (State) -- 2015 -- Mathematical models. CIENCIAS SOCIALES CIENCIAS SOCIALES

Desarrollo de interfaces de electrodos para la detección electroquímica de Bisfenol A: Estudio teórico

JAZMIN DELGADO AVILEZ (2023, [Tesis de maestría])

El bisfenol A (BPA), es un contaminante de origen industrial presente en efluentes y

aguas naturales, que representa un alto riesgo para el entorno ambiental y para la salud humana debido a su inherente toxicidad y su limitada capacidad de degradación. En este contexto, los sensores electroquímicos, generalmente basados en electrodos de carbono, son herramientas fundamentales con el propósito de detectar y cuantificar esta molécula. Sin embargo, estos dispositivos enfrentan desafíos sustanciales derivados de la inactivación electroquímica, un fenómeno atribuido a la formación de una capa aislante o polimerización durante el proceso de detección. La descripción de los mecanismos de reacción BPA/superficie del electrodo puede ser útil para identificar los sitios activos y contribuir a la elucidación del proceso de polimerización.

En esta investigación, se implementó un estudio teórico mediante Teoría de Funcionales de la Densidad (DFT) con el propósito de analizar con profundidad las interacciones entre el BPA en sus diversos estados de oxidación: oxidada (O), reducida (R) y monoprotonada (r*) y materiales de carbono. A tal efecto, se empleó el grafeno funcionalizado (plano basal, borde tipo silla y zigzag) como modelo representativo de la superficie del electrodo. Finalmente se evalúan las posibilidades de la dimerización del BPA o polimerización sobre varios grupos funcionales. El objetivo principal radica en la detección de grupos funcionales específicos que puedan inducir procesos secundarios, los cuales actúan como obstáculos para la eficaz detección electroquímica del BPA. La información resultante se instituye como un recurso valioso con miras al diseño y la optimización de sensores electroquímicos con un desempeño más robusto y sofisticado.

A continuación, se detalla la sinopsis general de este trabajo describiendo cada capítulo y las etapas involucradas en el estudio del modelo teórico de DFT para el sistema de reacción BPA/superficie del electrodo.

Capítulo 1. Estado del arte tanto de los usos industriales como las implicaciones

ambientales asociadas al Bisfenol A. Una de las problemáticas que se destacan es la necesidad de una detección precisa de esta molécula mediante sensores electroquímicos cuya limitación es la inactivación que presentan. También se describe la justificación del trabajo, así como el uso del modelo computacional, además de los objetivos y la hipótesis del mismo.

Capítulo 2. Descripción de los fundamentos teóricos basados en primeros principios, de la Teoría de Funcionales de la Densidad (DFT), con un enfoque especial en las aproximaciones para desarrollar modelos representativos que optimicen el tiempo de cálculo. Además, se detallan las características de la estructura y la superficie de los materiales de carbono considerados en el proceso de modelado.

Capítulo 3. Detalle del proceso de construcción del modelo de superficie para el estudio de las interacciones BPA/superficie del electrodo, donde se empleó el modelo del plano basal,así como los bordes tipo silla y zigzag del grafeno, con funcionalizaciones que incluyen COOH, OH, éter, epóxido, cetona y terminaciones de hidrógeno.

Bisphenol A (BPA) is a contaminant of industrial origin present in effluents and natural waters. It represents a high environmental and human health risk due to its inherent toxicity and limited degradation capacity. In this context, electrochemical sensors, generally based on carbon electrodes, are fundamental to detecting and quantifying this molecule. However, these devices face substantial challenges from electrochemical inactivation, a phenomenon attributed to forming an insulating layer or polymerization during the sensing process. The description of the BPA/electrode surface reaction mechanisms can be helpful to identify the active sites and contribute to the elucidation of the polymerization process.

In this research, a theoretical study was implemented using Density Functional Theory (DFT) to analyze in depth the interactions between BPA in its various oxidation states: oxidized (O), reduced (R), and monoprotonated (r*) and carbon materials. For this purpose, functionalized graphene (basal plane, saddle edge, and zigzag) was used as a representative model of the electrode surface. Finally, the possibilities of BPA dimerization or polymerization on various functional groups are evaluated. The main objective is detecting specific functional groups that can induce secondary processes, which act as obstacles to the effective electrochemical detection of BPA. The resulting information is a valuable resource for designing and optimizing electrochemical sensors with more robust and sophisticated performance.

The general synopsis of this work is detailed below, describing each chapter and the

stages involved in the study of the theoretical DFT model for the BPA/electrode surface reaction system.

Chapter 1. State of the art of industrial uses and the environmental implications associated with Bisphenol A. One of the problems that stands out is the need for precise detection of this molecule using electrochemical sensors, whose limitation is the inactivation they present. The justification of the work is also described, as well as the use of the computational model, in addition to its objectives and hypothesis.

Chapter 2. Description of the theoretical foundations based on first principles of Density Functional Theory (DFT), focusing on approaches to develop representative models that optimize calculation time. Additionally, the structure and surface characteristics of the carbon materials considered in the modeling process are detailed.

Chapter 3. Detail of the construction process of the surface model for the study of BPA/electrode surface interactions, where the basal plane model was used, as well as the chair- type and zigzag edges of graphene, with functionalizations that include COOH, OH, ether, epoxide, ketone, and hydrogen endings.

INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS Oxidación de fenoles, Teoría de funcionales de la densidad (DFT), electrodos de carbono, desactivación electroquímica, Bisfenol A (BPA). Phenol oxidation, Density Functional Theory (DFT), carbon electrodes, electrochemical deactivation, Bisphenol A (BPA).