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Hemoglobin loss method calculates blood loss during pancreaticoduodenectomy and predicts bleeding-related risk factors
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作者 Chao Yu Yi-Min Lin Guo-Zhe Xian 《World Journal of Gastrointestinal Surgery》 SCIE 2024年第2期419-428,共10页
BACKGROUND The common clinical method to evaluate blood loss during pancreaticoduoden-ectomy(PD)is visual inspection,but most scholars believe that this method is extremely subjective and inaccurate.Currently,there is... BACKGROUND The common clinical method to evaluate blood loss during pancreaticoduoden-ectomy(PD)is visual inspection,but most scholars believe that this method is extremely subjective and inaccurate.Currently,there is no accurate,objective me-thod to evaluate the amount of blood loss in PD patients.We retrospectively analyzed the clinical data of 341 patients who underwent PD in Shandong Provincial Hospital from March 2017 to February 2019.According to different surgical methods,they were divided into an open PD(OPD)group and a laparoscopic PD(LPD)group.The differences and correlations between the in-traoperative estimation of blood loss(IEBL)obtained by visual inspection and the intraoperative calculation of blood loss(ICBL)obtained using the Hb loss method were analyzed.ICBL,IEBL and perioperative calculation of blood loss(PCBL)were compared between the two groups,and single-factor regression analysis was performed.RESULTS There was no statistically significant difference in the preoperative general patient information between the two groups(P>0.05).PD had an ICBL of 743.2(393.0,1173.1)mL and an IEBL of 100.0(50.0,300.0)mL(P<0.001).There was also a certain correlation between the two(r=0.312,P<0.001).Single-factor analysis of ICBL showed that a history of diabetes[95%confidence interval(CI):53.82-549.62;P=0.017]was an independent risk factor for ICBL.In addition,the single-factor analysis of PCBL showed that body mass index(BMI)(95%CI:0.62-76.75;P=0.046)and preoperative total bilirubin>200μmol/L(95%CI:7.09-644.26;P=0.045)were independent risk factors for PCBL.The ICBLs of the LPD group and OPD group were 767.7(435.4,1249.0)mL and 663.8(347.7,1138.2)mL,respectively(P>0.05).The IEBL of the LPD group 200.0(50.0,200.0)mL was slightly greater than that of the OPD group 100.0(50.0,300.0)mL(P>0.05).PCBL was greater in the LPD group than the OPD group[1061.6(612.3,1632.3)mL vs 806.1(375.9,1347.6)mL](P<0.05).CONCLUSION The ICBL in patients who underwent PD was greater than the IEBL,but there is a certain correlation between the two.The Hb loss method can be used to evaluate intraoperative blood loss.A history of diabetes,preoperative bilirubin>200μmol/L and high BMI increase the patient's risk of bleeding. 展开更多
关键词 PANCREATICODUODENECTOMY Hemoglobin loss calculated blood loss Estimated blood loss
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外部验证CALCULATE量表预测重症监护病房老年患者压力性损伤的价值 被引量:4
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作者 徐英 瞿春华 +2 位作者 瞿海红 陈莉 郑艳丽 《老年医学与保健》 CAS 2023年第5期1045-1051,共7页
目的通过外部验证评估CALCULATE量表预测ICU老年患者压力性损伤(PI)的价值。方法回顾性分析上海市浦东医院综合ICU内2018年1月-2018年12月收治的老年患者临床资料,根据ICU期间是否发生PI分为PI组和非PI组。从区分度,校准度和有效性等方... 目的通过外部验证评估CALCULATE量表预测ICU老年患者压力性损伤(PI)的价值。方法回顾性分析上海市浦东医院综合ICU内2018年1月-2018年12月收治的老年患者临床资料,根据ICU期间是否发生PI分为PI组和非PI组。从区分度,校准度和有效性等方面评估CALCULATE量表的效能。结果最终纳入研究老年患者614例,ICU期间发生PI患者70例(11.4%),大部分是1、2期(97.1%),最常见部位是骶尾部(77.3%),CALCULATE量表预测PI的AUC为0.724(95%CI:0.687~0.759),优于传统的Braden量表的AUC(0.633)(95%CI:0.594~0.672),统计值Z=6.326(P<0.001);多因素二元Logistic回归显示,CALCULATE量表评分大于3分是独立危险因素(OR=3.835,95%CI:2.522~5.832,P<0.001);Hosmer-Lemeshow检验显示,CALCULATE量表的校准度较差(χ^(2)=15.103,P=0.004),决策曲线分析显示,CALCULATE量表具有较好的临床应用效能。结论CALCULATE量表预测ICU老年患者PI有一定的价值,但仍有待进一步完善。 展开更多
关键词 老年 压力性损伤 重症监护病房 calculate量表 BRADEN量表
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Calculated and Experimental Research of Sheet Resistances of Laser-Doped Silicon Solar Cells 被引量:2
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作者 李涛 王文静 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第2期166-169,共4页
The calculated and experimental research of sheet resistances of crystalline silicon solar cells by dry laser doping is investigated. The nonlinear numerical model on laser melting of crystalline silicon and liquid-ph... The calculated and experimental research of sheet resistances of crystalline silicon solar cells by dry laser doping is investigated. The nonlinear numerical model on laser melting of crystalline silicon and liquid-phase diffusion of phosphorus atoms by dry laser doping is analyzed by the finite difference method implemented in MATLAB. The melting period and melting depth of crystalline silicon as a function of laser energy density is achieved. The effective liquid-phase diffusion of phosphorus atoms in melting silicon by dry laser doping is confirmed by the rapid decrease of sheet resistances in experimental measurement. The plateau of sheet resistances is reached at around 15 Ω/. The calculated sheet resistances as a function of laser energy density is obtained and the calculated results are in good agreement with the corresponding experimental measurement. Due to the successful verification by comparison between experimental measurement and calculated results, the simulation results could be used to optimize the virtual laser doping parameters. 展开更多
关键词 calculated and Experimental Research of Sheet Resistances of Laser-Doped Silicon Solar Cells
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Electronic States of Difluorocarbene Calculated by Multireference Configuration Interaction Method
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作者 孙二平 任廷琦 +4 位作者 刘启鑫 苗泉 张进娟 徐海峰 闫冰 《Chinese Physics Letters》 SCIE CAS CSCD 2016年第2期17-21,共5页
We investigate the geometries and energies of seven electronic states X-1A1, A1B1, a-3B1, B-1A2,b-3A2, C1B2 and c-3B2 of CF2 carbene using internally contracted multireference configuration interaction methods includi... We investigate the geometries and energies of seven electronic states X-1A1, A1B1, a-3B1, B-1A2,b-3A2, C1B2 and c-3B2 of CF2 carbene using internally contracted multireference configuration interaction methods including Davidson correction (icMRCIq-Q) with different basis sets aug-cc-pVXZ (X=T, Q, 5). For the first time, the potential energy curves of electronic states of CF2 related icMRCI+Q/aug-cc-pVTZ level. The ab initio results will and dynamics of electronic states of CF2 radical. to the lowest dissociation limit are calculated at the further increase our understanding of the structures 展开更多
关键词 of on in ET HAVE been CF Electronic States of Difluorocarbene calculated by Multireference Configuration Interaction Method by were
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A SIMPLE METHOD TO CALCULATE RESONANCE ENERGY
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作者 Lu Bing YUAN Yong DING (Department of Chemistry,Dalian University of Technology,Dalian,116012) 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第1期63-64,共2页
A very simple method to calculate resonance energies of conjugated hydrocarbons by counting carbon numbers was introduced.
关键词 RE A SIMPLE METHOD TO calculate RESONANCE ENERGY
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Comparison of Calculated Fit and Experimental Calculations of Average Dose Deposited in Aluminum by High Energy Electron Beams
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作者 Mohammad Farnush 《Journal of Modern Physics》 2017年第5期747-755,共9页
This paper presents the formalism for absorbed dose determination to Aluminum in high-energy electron beams using Rhodotron accelerator. Depth dose curve for Aluminum at electron energy of 10 MeV was calculated. The c... This paper presents the formalism for absorbed dose determination to Aluminum in high-energy electron beams using Rhodotron accelerator. Depth dose curve for Aluminum at electron energy of 10 MeV was calculated. The calculated curve in the model as a function of the depth is compared to the experimental. The agreement of the final results remained well within the expected acceptable range. The calculated values of dose-to-Aluminum are completely fit with the measured values in the range of 0.07% for electron energy of 10 MeV. 展开更多
关键词 calculated FIT AVERAGE DOSE ALUMINUM High Energy Electron BEAMS
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Ascertainment Corrected Prevalence Rate (ACPR) of Leukopenia in Workers Exposed to Benzene in Small-Scale Industries Calculated With Capture-Recapture Methods
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作者 XIA ZHAO-LIN JIN XI-PENG +4 位作者 LU PEI-LIAN GU XUE-QI RONALD E.LAPORTE AND NAOKO TAJIMA(School of Public Health, Post Box 203, Shanghai Medical University,Shanghai 200032, China Department of Epidemiology, Graduate School of Public Health, University of Pit 《Biomedical and Environmental Sciences》 SCIE CAS CSCD 1995年第1期30-34,共5页
ACPRs of leukopenia in peripheral blood of workers exposed to benzene in small-scale industries are calculated using capture-recapture methods. The results from two figures with 6-month apart demonstrate that the ACPR... ACPRs of leukopenia in peripheral blood of workers exposed to benzene in small-scale industries are calculated using capture-recapture methods. The results from two figures with 6-month apart demonstrate that the ACPR in workers exposed to benzene is 36.81(29. 14-44.48)%, significantly higher than that of control 12.71(7.20-18.22)% (P<0.05),with a relative risk of 2.9. The prevalences of 4 cross-sectional investigations in exposure group calculated with routine method are 18.73%, 26.37%, 27.93%, and 36.76% respectively;in controls, 8.38%, 6.85%, 7.94%, and 15.00% respectively and all fall in the range of 95% CI of ACPR. It is suggested that the methods of calculating ACPR by capture-recapture methods is simple, feasible and efficient, with the results more precise than with traditional methods. 展开更多
关键词 ACPR of Leukopenia in Workers Exposed to Benzene in Small-Scale Industries calculated With Capture-Recapture Methods
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Calculate addition and subtraction in supply-front reform, and promote innovative development
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《China Textile》 2016年第8期16-20,共5页
On July 6,2016,China Textile Innovation Conference Shishi Forum was held in Shishi,Fujian,with the theme of'exploring innovative gene for textile products',focusing on the discussion of how to enhance the qual... On July 6,2016,China Textile Innovation Conference Shishi Forum was held in Shishi,Fujian,with the theme of'exploring innovative gene for textile products',focusing on the discussion of how to enhance the quality and efficiency of supply,how to activate and release effective demand;how to explore innovative gene for textile products from the nature of the product on the foundation of'ingenuity spirit',so as to boost reconstruction and 展开更多
关键词 calculate addition and subtraction in supply-front reform and promote innovative development
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RESEARCH ON METHOD TO CALCULATE VELOCITIES OF SOLID PHASE AND LIQUID PHASE IN DEBRIS FLOW 被引量:4
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作者 陈洪凯 唐红梅 陈野鹰 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2006年第3期399-408,共10页
Velocities of solid phase and liquid phase in debris flow are one key problem to research on impact and abrasion mechanism of banks and control structures under action of debris flow. Debris flow was simplified as two... Velocities of solid phase and liquid phase in debris flow are one key problem to research on impact and abrasion mechanism of banks and control structures under action of debris flow. Debris flow was simplified as two-phase liquid composed of solid phase with the same diameter particles and liquid phase with the same mechanical features. Assume debris flow was one-dimension two-phase liquid moving to one direction, then general equations of velocities of solid phase and liquid phase were founded in two-phase theory. Methods to calculate average pressures, volume forces and surface forces of debris flow control volume were established. Specially, surface forces were ascertained using Bingham's rheology equation of liquid phase and Bagnold's testing results about interaction between particles of solid phase. Proportional coefficient of velocities between liquid phase and solid phase was put forward, meanwhile, divergent coefficient between theoretical velocity and real velocity of solid phase was provided too. To state succinctly before, method to calculate velocities of solid phase and liquid phase was obtained through solution to general equations. The method is suitable for both viscous debris flow and thin debris flow. Additionally, velocities every phase can be identified through analyzing deposits in-situ after occurring of debris flow. It is obvious from engineering case the result in the method is consistent to that in real-time field observation. 展开更多
关键词 debris flow two-phase fluid velocities of solid phase and liquid phase calculation method VERIFICATION
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Effects of CT based Voxel Phantoms on Dose Distribution Calculated with Monte Carlo Method 被引量:1
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作者 陈朝斌 黄群英 吴宜灿 《Plasma Science and Technology》 SCIE EI CAS CSCD 2005年第2期2777-2780,共4页
A few CT-based voxel phantoms were produced to investigate the sensitivity of Monte Carlo simulations of X-ray beam and electron beam to the proportions of elements and the mass densities of the materials used to expr... A few CT-based voxel phantoms were produced to investigate the sensitivity of Monte Carlo simulations of X-ray beam and electron beam to the proportions of elements and the mass densities of the materials used to express the patient’s anatomical structure. The human body can be well outlined by air, lung, adipose, muscle, soft bone and hard bone to calculate the dose distribution with Monte Carlo method. The effects of the calibration curves established by using various CT scanners are not clinically significant based on our investigation. The deviation from the values of cumulative dose volume histogram derived from CT-based voxel phantoms is less than 1% for the given target. 展开更多
关键词 CT voxel phantom calibration curve Monte Carlo dose calculation
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Calculated Porosity of Volcanic Reservoir in Wangjiatun of the Northern Songliao Basin, NE China 被引量:1
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作者 Xuanlong Shan1, Chuanbiao Wan2, Rihui Cheng1, Wanzhu Liu11. College of Earth Sciences, Jilin University, Changchun, 130026 China 2. Daqing Exploration & Development Institute, Daqing, 163712 China 《Global Geology》 2003年第2期138-140,共3页
In Wangjiatun area of the Northern Songliao Basin, reservoir space can be divided into three types: primary pore, secondary pore and fissure according to their origins,which can be subdivided into eight subtypes: macr... In Wangjiatun area of the Northern Songliao Basin, reservoir space can be divided into three types: primary pore, secondary pore and fissure according to their origins,which can be subdivided into eight subtypes: macro-vesicule, shrank primary vesicule, alteration pore, groundmass corrosive pore, normal structural crack, corrosive structural crack, filled structural crack and groundmass shrank crack according to texture and origin of the pore space. It has characteristic of double pore medium. Volcanic porosities of small diameter samples (with diameter of ca. 2.5 cm) and large diameter samples (with diameter of ca. 21.5 cm) were tested in accordance with the characteristic of volcanic reservoir space. Volcanic porosities for small diameter samples correspond with matrix porosities and those of large diameter samples correspond with total porosities including matrix and fractured porosities. Models of the calculated porosity by acoustic wave or density of volcanic reservoir are established in view of those measured data. Comparison of calculated and measuredporosities shows that precision of calculated porosities is lower for rhyolite and tuffites, and higher for basaltand andesite. Relative errors of calculated porosities by model of large diameter samples are lower than those of small diameter samples, i. e. precision of the former is higher than that of the later. 展开更多
关键词 Songliao Basin VOLCANIC reservoir RESERVOIR space CALCULATING models of POROSITY
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Low-lying electronic states of CuN calculated by MRCI method
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作者 张树东 刘超 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第10期109-113,共5页
The high accuracy ab initio calculation method of multi-reference configuration interaction(MRCI) is used to compute the low-lying eight electronic states of CuN.The potential energy curves(PECs) of the X;∑;,1;Π... The high accuracy ab initio calculation method of multi-reference configuration interaction(MRCI) is used to compute the low-lying eight electronic states of CuN.The potential energy curves(PECs) of the X;∑;,1;Π,2;∑;,1;△,1;△,1;∑;,1;Π,and;∑;in a range of R=0.1 nm-0.5 nm are obtained and they are goodly asymptotes to the Cu(;S;) + N(;S;) and Cu(;S;)+N(;D;) dissociation limits.All the possible vibrational levels,rotational constants,and spectral constants for the six bound states of X;∑;,1;Π,2;∑;,1;△,1;∑;,and 1;Π are obtained by solving the radial Schrdinger equation of nuclear motion with the Le Roy provided Level 8.0 program.Also the transition dipole moments from the ground state X;∑;to the excited states 1;Π and 2;∑;are calculated and the result indicates that the 2;∑-X;∑ transition has a much higher transition dipole moment than the 1;Π-X;∑;transition even though the l;Π state is much lower in energy than the 2;∑;state. 展开更多
关键词 CUN electronic excited states MRCI calculation potential energy curves vibrational levels spectroscopic constants transition dipole moment
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Electronic structure of O-doped SiGe calculated by DFT+U method
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作者 赵宗彦 杨雯 杨培志 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第12期377-389,共13页
To more in depth understand the doping effects of oxygen on SiGe alloys, both the micro-structure and properties of O-doped SiGe (including: bulk, (001) surface, and (110) surface) are calculated by DPT + U me... To more in depth understand the doping effects of oxygen on SiGe alloys, both the micro-structure and properties of O-doped SiGe (including: bulk, (001) surface, and (110) surface) are calculated by DPT + U method in the present work. The calculated results are as follows. (i) The (110) surface is the main exposing surface of SiGe, in which O impurity prefers to occupy the surface vacancy sites. (ii) For O interstitial doping on SiGe (110) surface, the existences of energy states caused by 0 doping in the band gap not only enhance the infrared light absorption, but also improve the behaviors of photo-generated carriers. (iii) The finding about decreased surface work function of O-doped SiGe (110) surface can confirm previous experimental observations. (iv) In all cases, O doing mainly induces the electronic structures near the band gap to vary, but is not directly involved in these variations. Therefore, these findings in the present work not only can provide further explanation and analysis for the corresponding underlying mechanism for some of the experimental findings reported in the literature, but also conduce to the development of μc-SiGe-based solar ceils in the future. 展开更多
关键词 SiGe alloys 0 doping electronic structure density functional theory (DFT) calculations
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Analysis of Ringing and Noise in FE and FDTD Calculated Acoustic Pulse Profiles
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作者 Arthur Every Laurent Aebi Jurg Dual 《Applied Mathematics》 2012年第10期1351-1356,共6页
Ringing, i.e. the emergence of an oscillatory tail behind a wave pulse as it propagates through a medium, is a pervasive artefact in FE and FDTD calculated waveforms. It is known to be a consequence of numerical dispe... Ringing, i.e. the emergence of an oscillatory tail behind a wave pulse as it propagates through a medium, is a pervasive artefact in FE and FDTD calculated waveforms. It is known to be a consequence of numerical dispersion arising from the discretization of the equations of motion. The use of an irregular mesh in a FE code has the further consequence of rendering the displacement field increasingly noisy with distance behind the wave front. In this paper these effects are illustrated using the commercial FE package ABAQUS with square and irregular triangular meshes to calculate the progress of a longitudinally polarized Ricker pulse along the axis of a cylindrically shaped aluminium specimen. We are able to give a precise analytical account of the evolution of ringing on the basis of a low order approximation for the dispersion relation of the discretized equations of motion. A qualitative account is provided of the generation of noise in the use of an irregular triangular mesh. 展开更多
关键词 Numerical DISPERSION Wave Field Modelling FE FDTD CALCULATIONS
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A method to calculate the acetabular cup anteversion after total hip replacement based on 3D coordinate system
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作者 Zhenhua Zhang Fujie Sun +3 位作者 Jie Li Hongbiao Li Yiqi Deng Guodong Yin 《Journal of Biomedical Science and Engineering》 2013年第10期964-966,共3页
Aim: To explore an accurate method to calculate acetabular cup anteversion after total hip arthroplasty. Method: 1) A 3D coordinate system was established with the center of the hip joint rotation center base as coord... Aim: To explore an accurate method to calculate acetabular cup anteversion after total hip arthroplasty. Method: 1) A 3D coordinate system was established with the center of the hip joint rotation center base as coordinate center. The acetabular exit plane and Pettersson formula acetabular anteversion and Riten Pradhan formula acetabular anteversion and acetabular true anteversion were drawn;2) Determine the mathematical expression of Pettersson formula acetabular anteversion α and Riten Pradhan formula acetabular anteversion β in the coordinate system. The true acetabular anteversion is projection angle of Pettersson formula acetabular anteversion α on cross-section in the presence of acetabular abduction δ, determining mathematical expression of the acetabular anteversion θ by trigonometric functions. Results: Real acetabular cup anteversion θ = arctg (tgβ/cosδ). Conclusion: The true acetabular cup anteversion and Pettersson formula anteversion and Riten Pradhan for mula anteversion were quite different. The difference was increased with the acetabular cup abduction angle increased. The formula was simple and accurate and worthy of clinical reference. 展开更多
关键词 HIP JOINT REPLACEMENT ACETABULAR ANTEVERSION Calculation FORMULA
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Study on the methods to calculate the numbers of elements in every period in the periodic table
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作者 WU Zhi-fu DENG De-hua +2 位作者 SHEN Yu-hua XIE An-jian CHEN Zhang-xu 《Journal of Chemistry and Chemical Engineering》 2008年第4期71-74,共4页
The previous methods of figuring the numbers of chemical elements is summed up in this paper. Based on that, another two creative calculative methods are introduced as well.
关键词 the periodic table of elements the odd number theeven number calculative methods
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Research on the area which accounting calculated
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作者 LI Yu-ju XUE Jing-jing 《Journal of Modern Accounting and Auditing》 2010年第2期38-42,62,共6页
Currently, accounting practices is restrained by the concept that financial accounting is based on the transaction. It excludes some important resources, like internal generated goodwill, from the accounting calculati... Currently, accounting practices is restrained by the concept that financial accounting is based on the transaction. It excludes some important resources, like internal generated goodwill, from the accounting calculation system. So it fails to fully reflect the enterprise resource and their operating effects. Based on the analysis on recent demand and supply of accounting information, this paper proposes the view that financial accounting should be based on the value. In the authors' opinion, both the internal generated goodwill and the purchased goodwill have the same essence. They should be brought into the accounting system. Accounting should put the enterprise resource as its object, and the area of calculation should include enterprise resource's origin and composition of valuation, such as liabilities, equity and the remained of the rights, profit and comprehensive income and so on. Accounting should provide the information about the value and comprehensive income of the enterprise. 展开更多
关键词 enterprise resource VALUE area of accounting calculation
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Research and Experimental Application of Empirical Formulas to Calculate Riverbank Erosion in Tien River in the Mekong Delta
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作者 Can Thu Van Nguyen Thanh Son Ngo Chi Tuan 《Journal of Environmental Science and Engineering(A)》 2021年第3期116-123,共8页
In recent years,the problem of riverbank and coastal erosion in the MD(Mekong Delta)is very complicated;landslides occur in most of the inland and coastal provinces.Most riverbank landslides occur gradually,but in con... In recent years,the problem of riverbank and coastal erosion in the MD(Mekong Delta)is very complicated;landslides occur in most of the inland and coastal provinces.Most riverbank landslides occur gradually,but in contrast to sudden landslides that cause great damage,occur with increasing frequency.This shows that the trend of riverbank erosion will be more complicated and more frequent,especially in the context of extreme weather changes and changes in hydrological regime in the next time.Statistics from the authorities show that,if in 2010 the whole region had nearly 100 landslide points;by 2020 it had increased to more than 680 points;in which Dong Thap in the Tien River is one of the two localities with the most serious riverbank erosion.Currently,there are many methods used to assess and forecast the level of riverbank erosion in specific areas,such as:method of document analysis,measurement data;physical model;mathematical models and empirical formulas.In this study,the empirical formula is used to calculate the landslide level for the Tien River section in Cao Lanh,Dong Thap province.The calculation results according to the empirical formula have a certain agreement with the actual data,the correlation coefficient is 0.90 and the Nash coefficient is 0.78,the relative error of less than 15%is 80%of the cross-section.Such results have shown the possibility of applying empirical formulas to establish and calculate for other landslide areas along the banks of Hau River and MD. 展开更多
关键词 Riverbank erosion MD empirical formula for calculating bank erosion
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Recalculate Structural, Elastic, Electronic, and Thermal Properties in LaAlO<sub>3</sub>Rhombohedral Perovskite
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作者 Abdelkader Boudali Fatiha Saadaoui +2 位作者 Mostefa Zemouli Mohamed Driss Khodja Kadda Amara 《Advances in Materials Physics and Chemistry》 2013年第2期146-152,共7页
We study the structural, elastic and electronic properties of perovskite insulator LaAlO3 using two different methods: the full-potential linearized augmented plane wave method and the pseudo-potential plane wave sche... We study the structural, elastic and electronic properties of perovskite insulator LaAlO3 using two different methods: the full-potential linearized augmented plane wave method and the pseudo-potential plane wave scheme in the frame of generalized gradient approximation and local density approximation GGA + mBJ. We have evaluated the ground state quantities. Also, we have presented the results of the band structure and densities of states. These results are in favourable agreement with previous theoretical works and the existing experimental data. To complete the fundamental characteristics of this compound, we have analyzed the thermodynamic properties. 展开更多
关键词 Ab-Initio Calculations ELASTIC Properties ELECTRONIC Structure THERMODYNAMIC
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A defective iron-based perovskite cathode for high-performance IT-SOFCs:Tailoring the oxygen vacancies using Nb/Ta co-doping 被引量:2
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作者 Bayu Admasu Beshiwork Xinyu Wan +6 位作者 Min Xu Haoran Guo Birkneh Sirak Teketel Yu Chen Jun Song Chen Tingshuai Li Enrico Traversa 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期306-316,I0008,共12页
The sluggish kinetics of the electrochemical oxygen reduction reaction(ORR)in intermediatetemperature solid oxide fuel cells(IT-SOFCs)greatly limits the overall cell performance.In this study,an efficient and durable ... The sluggish kinetics of the electrochemical oxygen reduction reaction(ORR)in intermediatetemperature solid oxide fuel cells(IT-SOFCs)greatly limits the overall cell performance.In this study,an efficient and durable cathode material for IT-SOFCs is designed based on density functional theory(DFT)calculations by co-doping with Nb and Ta the B-site of the SrFeO_(3-δ)perovskite oxide.The DFT calculations suggest that Nb/Ta co-doping can regulate the energy band of the parent SrFeO_(3-δ)and help electron transfer.In symmetrical cells,such cathode with a SrFe_(0.8)Nb_(0.1)Ta_(0.1)O_(3-δ)(SFNT)detailed formula achieves a low cathode polarization resistance of 0.147Ωcm^(2) at 650℃.Electron spin resonance(ESR)and X-ray photoelectron spectroscopy(XPS)analysis confirm that the co-doping of Nb/Ta in SrFeO_(3-δ)B-site increases the balanced concentration of oxygen vacancies,enhancing the electrochemical performance when compared to 20 mol%Nb single-doped perovskite oxide.The cathode button cell with NiSDC|SDC|SFNT configuration achieves an outstanding peak power density of 1.3 W cm^(-2)at 650℃.Moreover,the button cell shows durability for 110 h under 0.65 V at 600℃ using wet H_(2) as fuel. 展开更多
关键词 Solid oxide fuel cell CATHODE Oxygen reduction reaction Power density DFT calculation
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