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4. Oxygen dissociation on the C3N monolayer: A first-principles study

Author

Zhao, Liang, Luo, Wenjin, Huang, Zhijing, Yan, Zihan, Jia, Hui, Pei, Wei, and Tu, Yusong

Subjects
Condensed Matter - Materials Science
Abstract

The oxygen dissociation and the oxidized structure on the pristine C3N monolayer in exposure to air are the inevitably critical issues for the C3N engineering and surface functionalization yet have not been revealed in detail. Using the first-principles calculations, we have systematically investigated the possible O2 adsorption sites, various O2 dissociation pathways and the oxidized structures. It is demonstrated that the pristine C3N monolayer shows more O2 physisorption sites and exhibits stronger O2 adsorption than the pristine graphene. Among various dissociation pathways, the most preferable one is a two-step process involving an intermediate state with the chemisorbed O2 and the barrier is lower than that on the pristine graphene, indicating that the pristine C3N monolayer is more susceptible to oxidation than the pristine graphene. Furthermore, we found that the most stable oxidized structure is not produced by the most preferable dissociation pathway but generated from a direct dissociation process. These results can be generalized into a wide range of temperatures and pressures using ab initio atomistic thermodynamics. Our findings deepen the understanding of the chemical stability of 2D crystalline carbon nitrides under ambient conditions, and could provide insights into the tailoring of the surface chemical structures via doping and oxidation., Comment: 23 pages,8 figures

Published
2022
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8. Confined and spontaneously transformed oxidation structures due to the intrinsic heterogeneous surface morphology of C3N monolayer.

Author

Luo, Wenjin, Zhao, Liang, Huang, Zhijing, Ni, Junqing, and Tu, Yusong

Subjects
*SURFACE morphology, *SURFACE chemistry, *POTENTIAL energy surfaces, *AB-initio calculations, *MOLECULAR dynamics, *DENSITY functional theory, *ELECTRONIC spectra
Abstract

Identifying the oxidation structure of two-dimensional interfaces is crucial to improve surface chemistry and electronic properties. Beyond graphene with only phenyl rings, a novel carbon-nitrogen material, C3N, presents an intrinsic heterogeneous surface morphology where each phenyl ring is encircled by six nitrogen atoms, yet its atomistic oxidation structure remains unclear. Here, combining a series of density functional theory calculations and ab initio molecular dynamics simulations, we demonstrate that thermodynamically favorable oxidation loci are confined to the phenyl ring, and kinetic transformations of oxidation structures are feasible along the phenyl ring, whereas those toward nitrogen atoms are proven to be extremely difficult. These results are attributed to the lower barrier of oxygen atom migration along the phenyl ring, while the significantly high barriers toward nitrogen atoms are due to the heterogeneous potential energy surface for oxygen–C3N interaction. This work highlights the significance of surface morphology on the characteristics of oxidation structure, offering insights into tunable electronic properties via confined interfacial oxidation. [ABSTRACT FROM AUTHOR]

Published
2024
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19. Optimizing the aldosterone-to-renin ratio cut-off for screening primary aldosteronism based on cardiovascular risk: a collaborative study.

Author

He, Chunxue, Li, Ruolin, Yang, Jun, Shen, Hang, Wang, Yue, Chen, Xiangjun, Luo, Wenjin, Zeng, Qinglian, Ma, Linqiang, Song, Ying, Cheng, Qingfeng, Wang, Zhihong, Wu, Fei-Fei, Li, Qifu, Yang, Shumin, and Hu, Jinbo

Abstract

Objectives: Aldosterone-to-renin ratio (ARR) based screening is the first step in the diagnosis of primary aldosteronism (PA). However, the guideline-recommended ARR cutoff covers a wide range, from the equivalent of 1.3 to 4.9 ng·dl−1/mIU∙l−1. We aimed to optimize the ARR cutoff for PA screening based on the risk of cardiovascular diseases (CVD). Methods: Longitudinally, we included hypertensive participants from the Framingham Offspring Study (FOS) who attended the sixth examination cycle and followed up until 2014. At baseline (1995–1998), we used circulating concentrations of aldosterone and renin to calculate ARR (unit: ng·dl−1/mIU∙l−1) among 1,433 subjects who were free of CVD. We used spline regression to calculate the ARR threshold based on the incident CVD. We used cross-sectional data from the Chongqing Primary Aldosteronism Study (CONPASS) to explore whether the ARR cutoff selected from FOS is applicable to PA screening. Results: In FOS, CVD risk increased with an increasing ARR until a peak of ARR 1.0, followed by a plateau in CVD risk (hazard ratio 1.49, 95%CI 1.19–1.86). In CONPASS, when compared to essential hypertension with ARR < 1.0, PA with ARR ≥ 1.0 carried a higher CVD risk (odds ratio 2.24, 95%CI 1.41–3.55), while essential hypertension with ARR ≥ 1.0 had an unchanged CVD risk (1.02, 0.62–1.68). Setting ARR cutoff at 2.4 ~ 4.9, 10% ~30% of PA subjects would be unrecognized although they carried a 2.45 ~ 2.58-fold higher CVD risk than essential hypertension. Conclusions: The CVD risk-based optimal ARR cutoff is 1.0 ng·dl−1/mIU∙l−1 for PA screening. The current guideline-recommended ARR cutoff may miss patients with PA and high CVD risk. Clinical Trial Registration: ClinicalTrials.gov (NCT03224312) [ABSTRACT FROM AUTHOR]

Published
2024
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25. Renal fat fraction is significantly associated with the risk of chronic kidney disease in patients with type 2 diabetes

Author

Shen, Yan, primary, Xie, Lianghua, additional, Chen, Xiangjun, additional, Mao, Lina, additional, Qin, Yao, additional, Lan, Rui, additional, Yang, Shumin, additional, Hu, Jinbo, additional, Li, Xue, additional, Ye, Hanwen, additional, Luo, Wenjin, additional, Gong, Lilin, additional, Li, Qifu, additional, Mao, Yun, additional, and Wang, Zhihong, additional

Published
2022
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26. Lifestyle and chronic kidney disease: A machine learning modeling study

Author

Luo, Wenjin, primary, Gong, Lilin, additional, Chen, Xiangjun, additional, Gao, Rufei, additional, Peng, Bin, additional, Wang, Yue, additional, Luo, Ting, additional, Yang, Yi, additional, Kang, Bing, additional, Peng, Chuan, additional, Ma, Linqiang, additional, Mei, Mei, additional, Liu, Zhiping, additional, Li, Qifu, additional, Yang, Shumin, additional, Wang, Zhihong, additional, and Hu, Jinbo, additional

Published
2022
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34. Relationship Between the TyG Index and Diabetic Kidney Disease in Patients with Type-2 Diabetes Mellitus

Author

Lv,Liangjing, Zhou,Yangmei, Chen,Xiangjun, Gong,Lilin, Wu,Jinshan, Luo,Wenjin, Shen,Yan, Han,Shichao, Hu,Jinbo, Wang,Yue, Li,Qifu, Wang,Zhihong, Lv,Liangjing, Zhou,Yangmei, Chen,Xiangjun, Gong,Lilin, Wu,Jinshan, Luo,Wenjin, Shen,Yan, Han,Shichao, Hu,Jinbo, Wang,Yue, Li,Qifu, and Wang,Zhihong

Abstract

Liangjing Lv,1,&ast; Yangmei Zhou,1,&ast; Xiangjun Chen,1 Lilin Gong,1 Jinshan Wu,1 Wenjin Luo,1 Yan Shen,1 Shichao Han,2 Jinbo Hu,1 Yue Wang,1 Qifu Li,1 Zhihong Wang1 On behalf of the Chongqing Diabetes Registry Group1Department of Endocrinology, The First Affiliated Hospital of Chongqing Medical University, Chongqing, People’s Republic of China; 2Department of Statistics, University of California, Berkeley, CA, USA&ast;These authors contributed equally to this workCorrespondence: Zhihong WangDepartment of Endocrinology, The First Affiliated Hospital of Chongqing Medical University, Yuzhong District, Chongqing, People’s Republic of ChinaTel/Fax +86-023-89011552Email towzh713@126.comBackground: Diabetic kidney disease (DKD) lacks a simple and relatively accurate predictor. The Triglyceride–Glucose (TyG) Index is a proxy of insulin resistance, but the association between the TyG Index and DKD is less certain. We investigated if the TyG Index can predict DKD onset effectively.Materials and Methods: Cross-sectional and longitudinal analyses were undertaken. In total, 1432 type-2 diabetes mellitus (T2DM) patients were included in the cross-sectional analysis. The TyG Index (calculated by ln [fasting triglycerides (mg/dL) × fasting glucose (mg/dL)/2]) was split into three tertiles. Associations of the TyG Index with microalbuminuria and estimated glomerular filtration rate (eGFR) < 60 mL/min/1.73 m2 were calculated. Longitudinally, 424 patients without DKD at baseline were followed up for 21 (range, 12– 24) months. The main outcome was DKD prevalence as defined with eGFR < 60 mL/min/1.73 m2 or continuously increased urinary microalbuminuria: creatinine ratio (> 30 mg/mL) over 3 months. Cox regression was used to analyze the association between the TyG Index at baseline and DKD. Receiver operating characteristics curve (ROC) analysis was used to assess the sensitivity and specificity of the TyG Index in predicting DKD.Results: In cross-sectio

Published
2021

41. Room-Temperature Single-Photon Detector Based on Single Nanowire

Author

Luo, Wenjin, primary, Weng, Qianchun, additional, Long, Mingsheng, additional, Wang, Peng, additional, Gong, Fan, additional, Fang, Hehai, additional, Luo, Man, additional, Wang, Wenjuan, additional, Wang, Zhen, additional, Zheng, Dingshan, additional, Hu, Weida, additional, Chen, Xiaoshuang, additional, and Lu, Wei, additional

Published
2018
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43. Arrayed Van Der Waals Broadband Detectors for Dual-Band Detection

Author

Wang, Peng, Liu, Shanshan, Luo, Wenjin, Fang, Hehai, Gong, Fan, Guo, Nan, Chen, Zhi Gang, Zou, Jin, Huang, Yan, Zhou, Xiaohao, Wang, Jianlu, Chen, Xiaoshuang, Lu, Wei, Xiu, Faxian, Hu, Weida, Wang, Peng, Liu, Shanshan, Luo, Wenjin, Fang, Hehai, Gong, Fan, Guo, Nan, Chen, Zhi Gang, Zou, Jin, Huang, Yan, Zhou, Xiaohao, Wang, Jianlu, Chen, Xiaoshuang, Lu, Wei, Xiu, Faxian, and Hu, Weida

Abstract

Wafer-scale multilayer GaSe was directly deposited on n-type GaSb substrates with a layer-by-layer epitaxial growth mode, which formed a vertical heterostructure of a dual-band photodetector. Indium (In) as the electrodes was formed on the surface of GaSe and GaSb, as the anode and cathode. To better demonstrate the vertical stacking process of the heterojunction structure, ab initio simulations were performed for GaSe nanosheet grown on the GaSb substrate.

Published
2017

46. Arrayed Van Der Waals Broadband Detectors for Dual-Band Detection

Author

Wang, Peng, primary, Liu, Shanshan, additional, Luo, Wenjin, additional, Fang, Hehai, additional, Gong, Fan, additional, Guo, Nan, additional, Chen, Zhi-Gang, additional, Zou, Jin, additional, Huang, Yan, additional, Zhou, Xiaohao, additional, Wang, Jianlu, additional, Chen, Xiaoshuang, additional, Lu, Wei, additional, Xiu, Faxian, additional, and Hu, Weida, additional

Published
2017
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47. Enhanced Photoresponsivity of a GaAs Nanowire Metal-Semiconductor-Metal Photodetector by Adjusting the Fermi Level

Author

Chen, Xue, Wang, Dengkui, Wang, Tuo, Yang, Zhenyu, Zou, Xuming, Wang, Peng, Luo, Wenjin, Li, Qing, Liao, Lei, Hu, Weida, and Wei, Zhipeng

Abstract

Metal-semiconductor-metal (MSM)-structured GaAs-based nanowire photodetectors have been widely reported because they are promising as an alternative for high-performance devices. Owing to the Schottky built-in electric fields in the MSM structure photodetectors, enhancements in photoresponsivity can be realized. Thus, strengthening the built-in electric field is an efficacious way to make the detection capability better. In this study, we fabricate a single GaAs nanowire MSM photodetector with superior performance by doping-adjusting the Fermi level to strengthen the built-in electric field. An outstanding responsivity of 1175 A/W is obtained. This is two orders of magnitude better than the responsivity of the undoped sample. Scanning photocurrent mappings and simulations are performed to confirm that the enhancement in responsivity is because of the increase in the hole Schottky built-in electric field, which can separate and collect the photogenerated carriers more effectively. The eloquent evidence clearly proves that doping-adjusting the Fermi level has great potential applications in high-performance GaAs nanowire photodetectors and other functional photodetectors.

Published
2024
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48. Highly sensitive visible to infrared MoTe2photodetectors enhanced by the photogating effect

Author

Huang, Hai, primary, Wang, Jianlu, additional, Hu, Weida, additional, Liao, Lei, additional, Wang, Peng, additional, Wang, Xudong, additional, Gong, Fan, additional, Chen, Yan, additional, Wu, Guangjian, additional, Luo, Wenjin, additional, Shen, Hong, additional, Lin, Tie, additional, Sun, Jinglan, additional, Meng, Xiangjian, additional, Chen, Xiaoshuang, additional, and Chu, Junhao, additional

Published
2016
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50. Visible Light-Assisted High-Performance Mid-Infrared Photodetectors Based on Single InAs Nanowire

Author

Fang, Hehai, primary, Hu, Weida, additional, Wang, Peng, additional, Guo, Nan, additional, Luo, Wenjin, additional, Zheng, Dingshan, additional, Gong, Fan, additional, Luo, Man, additional, Tian, Hongzheng, additional, Zhang, Xutao, additional, Luo, Chen, additional, Wu, Xing, additional, Chen, Pingping, additional, Liao, Lei, additional, Pan, Anlian, additional, Chen, Xiaoshuang, additional, and Lu, Wei, additional

Published
2016
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