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Single-atom catalysts (SACs) with N-heterocyclic carbene (NHC) coordination provide an effective strategy for enhancing nitrogen reduction reaction (NRR) performance by modulating the electronic properties of the metal active sites. In this work, we designed a novel NHC-coordinated SAC by embedding transition metals (TM) into a two-dimensional C2N-based nanomaterial (TM@C2N-NCM) and evaluated the NRR catalytic performance using a combination of density functional theory and machine learning. A multi-step screening identified eight high-performance catalysts (TM = Nb, Fe, Mn, W, V, Ta, Zr, Ti), with Nb@C2N-NCM showing the best performance (limiting potential = -0.29 V). All catalysts demonstrated lower limiting potential values compared to their TM@graphene-NCM counterparts, revealing the effectiveness of the C2N substrate in enhancing catalytic activity. Machine learning analysis achieved high predictive accuracy (coefficient of determination = 0.91; mean absolute error = 0.19) and identified final step protonation (S6), Mendeleev number (Nm), and d-electron count (Nd) as key factors influencing catalytic performance. This study offers valuable insights into the rational design of NHC-coordinated SACs and highlights the potential of C2N-based nanomaterials for advancing high-performance NRR electrocatalysts.
Single-atom catalysts (SACs) with N-heterocyclic carbene (NHC) coordination provide an effective strategy for enhancing nitrogen reduction reaction (NRR) performance by modulating the electronic properties of the metal active sites. In this work, we designed a novel NHC-coordinated SAC by embedding transition metals (TM) into a two-dimensional C2N-based nanomaterial (TM@C2N-NCM) and evaluated the NRR catalytic performance using a combination of density functional theory and machine learning. A multi-step screening identified eight high-performance catalysts (TM = Nb, Fe, Mn, W, V, Ta, Zr, Ti), with Nb@C2N-NCM showing the best performance (limiting potential = -0.29 V). All catalysts demonstrated lower limiting potential values compared to their TM@graphene-NCM counterparts, revealing the effectiveness of the C2N substrate in enhancing catalytic activity. Machine learning analysis achieved high predictive accuracy (coefficient of determination = 0.91; mean absolute error = 0.19) and identified final step protonation (S6), Mendeleev number (Nm), and d-electron count (Nd) as key factors influencing catalytic performance. This study offers valuable insights into the rational design of NHC-coordinated SACs and highlights the potential of C2N-based nanomaterials for advancing high-performance NRR electrocatalysts.
As a mode of perpetuating and revitalizing traditional culture, cultural and creative products have garnered widespread affection and recognition from the public. In the context of evolving societal trends and advancements in science and technology, the digitization of traditional cultural and creative products has emerged as a prominent trend. This study undertakes the digital design of these products, primarily focusing on the innovative application of a style transfer algorithm to traditional motifs, supplemented by their visualization through digital platforms such as augmented reality (AR) and virtual reality (VR). Furthermore, it facilitates intelligent consumer interaction via gesture recognition algorithms, thereby enhancing user engagement and experience. During the implementation phase, this research conducts comparative analyses of style transfer and gesture recognition within digital cultural and creative products. It also employs the Kano questionnaire to categorize and analyze user needs effectively. Notably, while the recall rate of the style transfer algorithm documented in this study remains below 0.9, it consistently achieves high precision, significantly enhances feature extraction capabilities, and improves the quality of the style transfer effects produced. Moreover, the static gesture recognition algorithm achieves an impressive average recognition rate of 98.2%. The dynamic gesture recognition algorithm, meanwhile, maintains an average recognition rate of 94% with a processing time of 3.2 seconds, balancing the demands of real-time interaction and accuracy effectively. This study systematically analyzes the significance of each requirement element across six dimensions, classifying customer needs for digital cultural and creative products into four distinct categories. Additionally, it delineates a viable pathway for the integration of digital art elements into the design of artistic and innovative products, setting a foundation for future innovations in this field.
This study analyses the spatiotemporal distribution of land use and land cover (LULC) in the United Arab Emirates (UAE) over the past 50 years (1972–2021) using 72 multi-temporal Landsat satellite images. Three machine learning (ML) classifiers, Classification and Regression Tree (CART), Support Vector Machine (SVM) and Random Forest (RF), were tested, with RF finally chosen for its higher performance. Spectral, spatial, topographic, and object aspect attributes were extracted and used as input for the RF algorithm to enhance the classification accuracy. A dataset comprising 46,146 polygons representing four LULC classes was created, with 80% allocated for training and 20% for testing, ensuring robust model validation. The algorithm was trained to develop a machine learning model that classified the data into four LULC classes namely: built areas, vegetation, water, and desert and mountainous regions, producing eight thematic maps for the years 1972, 1986, 1992, 1997, 2002, 2013, 2017, and 2021. The results reveal the dominance of desert and mountainous regions, with their coverage gradually declining from over 97% in 1972 to nearly 91% in 2021. In contrast, built areas grew from less than 1% to nearly 6%, while vegetation cover increased from 0.71% to 2.85%. Water bodies have exhibited periodic fluctuations between 0.4% and 0.35%. These changes are attributed to extensive urbanization, agricultural expansion, forest plantation programs, land reclamation, and megaprojects. Accuracy assessment of the classified maps showed high overall accuracy, ranging from 85.11% to 98.4%. The study provides a unique long-term analysis of the UAE over 50 years, capturing key developments from the 1970s oil boom through subsequent megaprojects at the onset of the new millennium, leading to reduced reliance on oil. These findings underscore the role of machine learning and geospatial technologies in monitoring LULC distribution in challenging environments, and the results serve as a vital tool for policymakers to manage land resources, urban planning, and environmental conservation.
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