Electronic structure and improved optical properties of Al, P, and Al-P doped h-BN

Zhou, Xi; Zhao, Cuihua; Chen, Jianhua; Li, Yuqiong; Zheng, KaiYe; Chen, Liang‐Yu

doi:10.1016/j.diamond.2022.109561

Cited by 10 publications

(14 citation statements)

References 57 publications

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“…Surprisingly, the ground states of Me−BNAl and Me−BNP are spin-polarized, which does not occur in the Al/P-doped h- BN monolayer reported in the previous theoretical study. 61 The energy advantages of the spin-polarized Me−BNAl and Me−BNP systems are, respectively, around 120 and 86 meV/ u.c. than the spin-unpolarized ones.…”

Section: Electronic Featuresmentioning

confidence: 99%

Spin-Polarized Me–BNX (X = Al and P) with Negative Poisson’s Ratios: Implications for Two-Dimensional Transition-Metal-Free Spintronic Devices

Chen,

Jia,

Zhao

et al. 2023

ACS Appl. Nano Mater.

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Section: Electronic Featuresmentioning

confidence: 99%

Spin-Polarized Me–BNX (X = Al and P) with Negative Poisson’s Ratios: Implications for Two-Dimensional Transition-Metal-Free Spintronic Devices

Chen,

Jia,

Zhao

et al. 2023

ACS Appl. Nano Mater.

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“…The study suggests that BNQDs have potential applications in wastewater treatment for metal removal and in efficient water splitting due to observed hydrogen evolution and low overpotential for the oxygen evolution reaction. Additionally, the tunable light emission characteristics of BN have been exploited in the creation of light-emitting diodes (LEDs) and other optoelectronic devices [25][26][27], with heteroatom-doping allowing for the customization of light output. Lastly, its excellent electrical conductivity and tunable bandgap make BN-related materials suitable for energy storage devices, such as batteries and supercapacitors, and for enhancing the efficiency of solar cells for photovoltaic applications.…”

Section: Introductionmentioning

confidence: 99%

Tailoring optical and photocatalytic properties of sulfur-doped boron nitride quantum dots via ligand functionalization

Cui,

2024

Nanotechnology

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Boron nitride quantum dots (BNQDs) have emerged as promising photocatalysts due to their excellent physicochemical properties. This study investigates strategies to enhance the photocatalytic performance of BNQDs through sulfur-doping (S-BNQDs) and edge-functionalization with ligands (urea, thiourea, p-phenyl-enediamine (PPD)). To analyze the geometry, electronic structure, optical absorption, charge transfer, and photocatalytic parameters of pristine and functionalized S-BNQDs, we performed density functional theory calculations. The results showed that S-doping and ligand functionalization tune the bandgap, band energies, and introduce mid-gap states to facilitate light absorption, charge separation, and optimized energetics for photocatalytic redox reactions. Notably, the PPD ligand induced the most substantial bandgap narrowing and absorption edge red-shift by over 1 electron volt (eV) compared to pristine S-BNQD, significantly expanding light harvesting. Additionally, urea and PPD functionalization increased the charge transfer length by up to 2.5 times, effectively reducing recombination. On the other hand, thiourea functionalization yielded the most favorable electron injection energetics. The energy conversion efficiency followed the order: PPD (15.0%) > thiourea (12.0%) > urea (11.0%) > pristine (10.0%). Moreover, urea functionalization maximized the first-order hyperpolarizability, enhancing light absorption. These findings provide valuable insights into tailoring S-BNQDs through strategic doping and functionalization to develop highly efficient, customized photocatalysts for sustainable applications.

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“…However, on discriminative or natural language understanding (NLU) tasks BERT models have comparable performance with LLMs ( 28 ). Also, it requires additional pretraining and fine-tuning to achieve state of the art performance levels in clinical tasks ( 29 ) which is cost and resource intensive. For our purpose we use Google's off-the-shelf BERT base uncased model with 110M trainable parameters for fine-tuning and inferencing ( 30 ).…”

Section: Introductionmentioning

confidence: 99%

Artificial Intelligence–Assisted Cancer Status Detection in Radiology Reports

Arya,

Niederhausern,

Bahadur

et al. 2024

Cancer Research Communications

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Cancer research is dependent on accurate and relevant information of patient's medical journey. Data in radiology reports are of extreme value but lack consistent structure for direct use in analytics. At Memorial Sloan Kettering Cancer Center (MSKCC), the radiology reports are curated using gold-standard approach of using human annotators. However, the manual process of curating large volume of retrospective data slows the pace of cancer research. Manual curation process is sensitive to volume of reports, number of data elements and nature of reports and demand appropriate skillset. In this work, we explore state of the art methods in artificial intelligence (AI) and implement end-to-end pipeline for fast and accurate annotation of radiology reports. Language models (LM) are trained using curated data by approaching curation as multiclass or multilabel classification problem. The classification tasks are to predict multiple imaging scan sites, presence of cancer and cancer status from the reports. The trained natural language processing (NLP) model classifiers achieve high weighted F1 score and accuracy. We propose and demonstrate the use of these models to assist in the manual curation process which results in higher accuracy and F1 score with lesser time and cost, thus improving efforts of cancer research. Significance: Extraction of structured data in radiology for cancer research with manual process is laborious. Using AI for extraction of data elements is achieved using NLP models’ assistance is faster and more accurate.

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Electronic structure and improved optical properties of Al, P, and Al-P doped h-BN

Cited by 10 publications

References 57 publications

Spin-Polarized Me–BNX (X = Al and P) with Negative Poisson’s Ratios: Implications for Two-Dimensional Transition-Metal-Free Spintronic Devices

Spin-Polarized Me–BNX (X = Al and P) with Negative Poisson’s Ratios: Implications for Two-Dimensional Transition-Metal-Free Spintronic Devices

Tailoring optical and photocatalytic properties of sulfur-doped boron nitride quantum dots via ligand functionalization

Artificial Intelligence–Assisted Cancer Status Detection in Radiology Reports

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