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α-Fe2O3表面SO2吸附及SO3催化生成的密度泛函分析 被引量:3
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作者 王永兵 戴高峰 +3 位作者 单志亮 王学斌 尤红军 谭厚章 《洁净煤技术》 CAS 2020年第6期203-209,共7页
燃煤电厂排放了大量SO2和少量SO3,SO3的产生不仅危害环境,且不利于电厂的安全运行,飞灰和锅炉壁面中的Fe2O3对SO3生成有显著催化作用,而目前对Fe2O3催化生成SO3的路径研究和机理揭示还不够深入。建立了α-Fe2O3(001)表面,利用密度泛函... 燃煤电厂排放了大量SO2和少量SO3,SO3的产生不仅危害环境,且不利于电厂的安全运行,飞灰和锅炉壁面中的Fe2O3对SO3生成有显著催化作用,而目前对Fe2O3催化生成SO3的路径研究和机理揭示还不够深入。建立了α-Fe2O3(001)表面,利用密度泛函分析方法,对SO2和O2在α-Fe2O3(001)表面的吸附方式进行研究,得到SO2的稳定吸附构型和O2在Fe2O3表面的解离方式,利用过渡态搜索方法研究了α-Fe2O3表面催化生成SO3的反应路径和反应能垒,并对比了气相反应生成SO3的反应能垒。结果表明,SO2最稳定的吸附方式是SO2中的O原子和S原子吸附在α-Fe2O3晶体上的Fe原子上方,S原子不易在α-Fe2O3表面的晶格氧上方吸附;O2在α-Fe2O3表面的吸附能大于SO2的最大吸附能,表明O2更易在α-Fe2O3表面吸附;O2极易在表面有氧空位的Fe2O3晶体上发生解离并生成O原子,说明有氧空位存在的α-Fe2O3更易促进O2的解离和表面吸附氧的产生。SO3生成的L-H机理为气相中的SO2和O原子先在α-Fe2O3表面吸附,再结合生成SO3,该过程的反应能垒为231.65 kJ/mol;E-R机理为气相中的SO2与α-Fe2O3的表面吸附氧发生反应生成SO3,其反应能垒为24.82 kJ/mol,小于L-H机理的反应能垒,也远小于气相反应中SO3生成的反应能垒。证实Fe2O3对SO3的生成具有显著的催化作用,且E-R机理为主导的反应机理,氧空位的存在促进了O2在α-Fe2O3表面的解离,且表面吸附氧在催化过程中起关键作用。 展开更多
关键词 Α-FE2o3 so2吸附 So3 密度泛函 催化
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SO2在Fe2O3颗粒表面不同温度下非均相反应的实验模拟 被引量:17
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作者 崔虎雄 成天涛 +2 位作者 陈建民 徐永福 房文 《物理化学学报》 SCIE CAS CSCD 北大核心 2008年第12期2331-2336,共6页
使用漫反射Fourier变换红外光谱(DFTIRS)、离子色谱(IC)及透射电子显微镜(TEM)对不同温度条件下SO2在α-Fe2O3颗粒表面的非均相反应过程进行实验模拟和监测,并分析了反应剧烈波段(8.7μm)的产物硫酸盐以及颗粒吸收和后向散射光学系数的... 使用漫反射Fourier变换红外光谱(DFTIRS)、离子色谱(IC)及透射电子显微镜(TEM)对不同温度条件下SO2在α-Fe2O3颗粒表面的非均相反应过程进行实验模拟和监测,并分析了反应剧烈波段(8.7μm)的产物硫酸盐以及颗粒吸收和后向散射光学系数的变化.结果表明,在15-45℃内,硫酸盐生成量、生成速率以及吸收系数、后向散射系数都随反应温度的升高而呈现先增加后减少的趋势;同一反应温度下,硫酸盐生成速率随时间呈现先增大后减小,最后逐渐趋于稳定的演变;光学系数变化与硫酸盐生成量之间存在较好的指数关系.在当前全球气候变暖背景下,研究结果将对深入了解真实大气中SO2与矿尘非均相反应造成的气溶胶光学特性演变,以及定量评估其辐射强迫影响具有一定意义. 展开更多
关键词 FE2o3 非均相反应 温度 硫酸盐 光学特性
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日本开发成功脱除SO2和SO3的催化剂
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《宁夏石油化工》 2005年第2期73-73,共1页
近日,日本三菱重公司与大阪气体公司联合开发出可从烟道气中同时脱除SO2和SO3、基于沥青活性炭纤维(ACF)脱硫技术的脱硫催化剂。ACF表面的精细纳米结构可在室温下将烟道气中排放的SO2氧化为SO3,然后注入少量水将SO3转化为硫酸加以回... 近日,日本三菱重公司与大阪气体公司联合开发出可从烟道气中同时脱除SO2和SO3、基于沥青活性炭纤维(ACF)脱硫技术的脱硫催化剂。ACF表面的精细纳米结构可在室温下将烟道气中排放的SO2氧化为SO3,然后注入少量水将SO3转化为硫酸加以回收,该催化剂不仅可以同时脱除SO2和SO3,而且还可除去尘粒。 展开更多
关键词 So3 so2 脱除 开发成功 脱硫催化剂 活性炭纤维 联合开发 日本三菱 脱硫技术 纳米结构 烟道气 ACF 公司 气体 硫酸 尘粒
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H2O和SO2在NH3选择性催化还原NOx过程中的影响 被引量:12
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作者 陶建忠 李国祥 佟德辉 《内燃机工程》 EI CAS CSCD 北大核心 2008年第3期56-58,63,共4页
在连续流动固定床反应器上利用氨气作还原剂对一纳米级V-W/Ti基催化剂的选择性催化还原氮氧化物的反应进行了实验研究,分析了水蒸气和硫氧化物对脱除氮氧化物的影响。试验结果表明,气体组分中含水蒸气对SCR低温活性具有一定抑制作用... 在连续流动固定床反应器上利用氨气作还原剂对一纳米级V-W/Ti基催化剂的选择性催化还原氮氧化物的反应进行了实验研究,分析了水蒸气和硫氧化物对脱除氮氧化物的影响。试验结果表明,气体组分中含水蒸气对SCR低温活性具有一定抑制作用;水蒸气的存在在较高温度时对氨直接氧化为氮氧化物也具有抑制作用,这间接提高了高温段的氮氧化物脱除效率。150℃~500℃时气体组分中含有硫氧化物可以提高SCR活性,氮氧化物脱除率在无、有硫氧化物的条件下由最高94%提升至98%。气体成分中同时含水蒸气和硫氧化物的情况下,在150℃~240℃SCR活性有较明显的提高,在350℃~500℃温度范围内对氮氧化物脱除率也存在一定的促进作用,但在低温时有硫酸铵盐结晶物质生成。 展开更多
关键词 内燃机 V2O5-Wo3/TIO2催化剂 选择性催化还原反应
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流态化燃烧NO、N2O和SO2同步排放试验研究 被引量:1
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作者 丰凡 程乐鸣 +2 位作者 张维国 施正展 邱坤赞 《能源工程》 2020年第2期56-60,70,共6页
研究了热态流化床实验台中燃烧褐煤、烟煤和无烟煤时SO2、NO和N2O同步排放浓度随过量空气系数、燃烧温度和钙硫比的变化规律。试验中过量空气系数变化范围为0.8~1.8,燃烧温度变化范围为750~950℃,钙硫比变化范围为0~3。结果表明:过量空... 研究了热态流化床实验台中燃烧褐煤、烟煤和无烟煤时SO2、NO和N2O同步排放浓度随过量空气系数、燃烧温度和钙硫比的变化规律。试验中过量空气系数变化范围为0.8~1.8,燃烧温度变化范围为750~950℃,钙硫比变化范围为0~3。结果表明:过量空气系数增加时NO和N2O的排放浓度增加,SO2排放浓度先增加后降低;燃烧温度增加时NO排放浓度增加,N2O排放浓度降低,SO2的排放浓度增加;加入碳酸钙后NO排放量增加,N2O和SO2的排放量减少。加入碳酸钙后可以有效降低SO2排放,同时会使NO排放增加、N2O排放降低;烟煤、无烟煤和褐煤燃烧时NO、SO2和N2O随过量空气系数的变化规律存在差别。 展开更多
关键词 流化床 NO N2O so2 同步排放 试验研究
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Designing ultrastable P2/O3-type layered oxides for sodium ion batteries by regulating Na distribution and oxygen redox chemistry 被引量:1
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作者 Jieyou Huang Weiliang Li +3 位作者 Debin Ye Lin Xu Wenwei Wu Xuehang Wu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第7期466-476,共11页
P2/O3-type Ni/Mn-based layered oxides are promising cathode materials for sodium-ion batteries(SIBs)owing to their high energy density.However,exploring effective ways to enhance the synergy between the P2 and 03 phas... P2/O3-type Ni/Mn-based layered oxides are promising cathode materials for sodium-ion batteries(SIBs)owing to their high energy density.However,exploring effective ways to enhance the synergy between the P2 and 03 phases remains a necessity.Herein,we design a P2/O3-type Na_(0.76)Ni_(0.31)Zn_(0.07)Mn_(0.50)Ti_(0.12)0_(2)(NNZMT)with high chemical/electrochemical stability by enhancing the coupling between the two phases.For the first time,a unique Na*extraction is observed from a Na-rich O3 phase by a Na-poor P2 phase and systematically investigated.This process is facilitated by Zn^(2+)/Ti^(4+)dual doping and calcination condition regulation,allowing a higher Na*content in the P2 phase with larger Na^(+)transport channels and enhancing Na transport kinetics.Because of reduced Na^(+)in the O3 phase,which increases the difficulty of H^(+)/Na^(+) exchange,the hydrostability of the O3 phase in NNZMT is considerably improved.Furthermore,Zn^(2+)/Ti^(4+)presence in NNZMT synergistically regulates oxygen redox chemistry,which effectively suppresses O_(2)/CO_(2) gas release and electrolyte decomposition,and completely inhibits phase transitions above 4.0 V.As a result,NNZMT achieves a high discharge capacity of 144.8 mA h g^(-1) with a median voltage of 3.42 V at 20 mA g^(-1) and exhibits excellent cycling performance with a capacity retention of 77.3% for 1000 cycles at 2000 mA g^(-1).This study provides an effective strategy and new insights into the design of high-performance layered-oxide cathode materials with enhanced structure/interface stability forSIBs. 展开更多
关键词 Sodium-ion batteries P2/o3-type layered oxides Na distribution Oxygen redox chemistry Hydrostability
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Growth of Carbon Nanocoils by Porous α-Fe2O3/SnO2 Catalyst and Its Buckypaper for High Efficient Adsorption 被引量:3
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作者 Yongpeng Zhao Jianzhen Wang +7 位作者 Hui Huang Tianze Cong Shuaitao Yang Huan Chen Jiaqi Qin Muhammad Usman Zeng Fan Lujun Pan 《Nano-Micro Letters》 SCIE EI CAS CSCD 2020年第2期137-153,共17页
High-purity(99%)carbon nanocoils(CNCs)have been synthesized by using porousα-Fe2O3/SnO2 catalyst.The yield of CNCs reaches 9,098%after a 6 h growth.This value is much higher than the previously reported data,indicati... High-purity(99%)carbon nanocoils(CNCs)have been synthesized by using porousα-Fe2O3/SnO2 catalyst.The yield of CNCs reaches 9,098%after a 6 h growth.This value is much higher than the previously reported data,indicating that this method is promising to synthesize high-purity CNCs on a large scale.It is considered that an appropriate proportion of Fe and Sn,proper particle size distribution,and a loose-porous aggregate structure of the catalyst are the key points to the high-purity growth of CNCs.Benefiting from the high-purity preparation,a CNC Buckypaper was successfully prepared and the electrical,mechanical,and electrochemical properties were investigated comprehensively.Furthermore,as one of the practical applications,the CNC Buckypaper was successfully utilized as an efficient adsorbent for the removal of methylene blue dye from wastewater with an adsorption efficiency of 90.9%.This study provides a facile and economical route for preparing high-purity CNCs,which is suitable for large-quantity production.Furthermore,the fabrication of macroscopic CNC Buckypaper provides promising alternative of adsorbent or other practical applications. 展开更多
关键词 Carbon nanocoils Porousα-Fe2o3/Sno2 CATALYST BUCKYPAPER Methylene blue adsorption
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Al2O3掺杂SO4^2-/SnO2固体酸催化剂上的酯化和酯交换反应 被引量:9
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作者 翟德伟 乐英红 +1 位作者 华伟明 高滋 《物理化学学报》 SCIE CAS CSCD 北大核心 2010年第7期1867-1872,共6页
用共沉淀法制备了一系列不同Al2O3掺杂量(0.5%-3.0%,摩尔分数)的SO24-/SnO2催化剂.采用N2吸附、热重(TG)分析、X射线粉末衍射(XRD)、X射线光电子能谱(XPS)、漫反射红外光谱(DRIFTS)、拉曼(Raman)光谱、魔角旋转固体核磁共振(27AlMASNMR... 用共沉淀法制备了一系列不同Al2O3掺杂量(0.5%-3.0%,摩尔分数)的SO24-/SnO2催化剂.采用N2吸附、热重(TG)分析、X射线粉末衍射(XRD)、X射线光电子能谱(XPS)、漫反射红外光谱(DRIFTS)、拉曼(Raman)光谱、魔角旋转固体核磁共振(27AlMASNMR)对催化剂的结构和织构性质进行了表征,用正丁胺电位滴定法测定了催化剂的酸量,并评价了这些催化剂对月桂酸与甲醇的酯化和三乙酸甘油酯与甲醇的酯交换反应性能.实验结果表明SO24-/SnO2催化剂中掺杂少量Al2O3能明显提高催化活性,这是由催化剂的酸性位增加而引起的,添加Al2O3的摩尔分数为1.0%的催化剂表现出最高的反应活性,在酯化反应中6h后月桂酸转化率高达92.7%,在酯交换反应中8h后三乙酸甘油酯转化率高达91.1%. 展开更多
关键词 固体酸 酯化 酯交换 so24-/Sno2 Al2o3掺杂
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Sandmeyer法合成2-溴-6-氯甲苯
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作者 王博闻 南沛然 +3 位作者 李世云 文彬 陈兴权 鲍晓军 《精细石油化工》 2025年第1期23-26,共4页
采用Sandmeyer法以3-氯-2-甲基苯胺为原料,亚硝酸钠为重氮化试剂,在低温、酸性环境下得到重氮盐,再利用铜基催化剂、不同温度的条件下分解,得到2-氯-6-溴甲苯。适宜合成条件为:以30%硫酸溶解胺,以亚硝酸钠的硫酸溶液成盐,以氢溴酸为溴... 采用Sandmeyer法以3-氯-2-甲基苯胺为原料,亚硝酸钠为重氮化试剂,在低温、酸性环境下得到重氮盐,再利用铜基催化剂、不同温度的条件下分解,得到2-氯-6-溴甲苯。适宜合成条件为:以30%硫酸溶解胺,以亚硝酸钠的硫酸溶液成盐,以氢溴酸为溴源、铜粉为催化剂、在0℃分解。其中,酸用量为原料的5倍,n(3-氯-2-甲基苯胺)∶n(亚硝酸钠)∶n(铜粉)∶n(工业氢溴酸)=1∶1.2∶0.1∶1.2,2-溴-6-氯甲苯的收率可达95%。 展开更多
关键词 Sandmeyer反应 重氮盐 亚硝酸钠 2-溴-6-氯甲苯 3-氯-2-甲基苯胺
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益气活血方调控METTL3/HAND2/TGF-β1信号轴对冠心病气虚血瘀证大鼠的影响
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作者 荆晓朔 张少辉 +3 位作者 汪顺伟 肖清玄 欧颖 李亮 《中国中医药信息杂志》 CAS 2025年第1期98-105,共8页
目的观察益气活血方调控METTL3/HAND2/TGF-β1信号轴对冠心病气虚血瘀证大鼠的影响。方法将48只雄性SD大鼠随机分为假手术组、模型组、益气活血方组和西药(单硝酸异山梨酯)组,每组12只。除假手术组外,其余各组采用左冠状动脉前降支结扎... 目的观察益气活血方调控METTL3/HAND2/TGF-β1信号轴对冠心病气虚血瘀证大鼠的影响。方法将48只雄性SD大鼠随机分为假手术组、模型组、益气活血方组和西药(单硝酸异山梨酯)组,每组12只。除假手术组外,其余各组采用左冠状动脉前降支结扎结合游泳力竭法制备冠心病气虚血瘀证大鼠模型。造模结束后,益气活血方组及西药组灌胃干预28d。观察大鼠一般状况,采集心电图,超声心动图检测大鼠心功能,血液流变学检测血瘀程度,HE染色观察心肌组织形态,免疫组化法检测心肌组织甲基化转移酶3(METTL3)、转化生长因子(TGF)-β1、Smad2、Smad3表达,RT-PCR和Western blot检测心肌组织METTL3、心脏神经嵴衍生物表达蛋白2(HAND2)、TGF-β1、Smad2、Smad3mRNA和蛋白表达。结果与假手术组比较,模型组大鼠出现精神萎靡、行动迟缓、嗜睡、体质量降低等气虚表现,心电图ST段显著抬高,左室射血分数(LVEF)、左室短轴缩短率(LVFS)下降(P<0.01),左室舒张末期容积(LVEDV)、左室收缩末期容积(LVESV)、左室舒张末期内径(LVEDd)、左室收缩末期内径(LVEDs)升高(P<0.01),红细胞聚集指数、卡松黏度及全血黏度升高(P<0.01);心肌细胞肿大、坏死,心肌纤维排列紊乱,心肌组织有炎性细胞浸润,心肌组织METTL3、TGF-β1、Smad2、Smad3mRNA和蛋白表达均升高(P<0.05,P<0.01),HAND2 mRNA和蛋白表达均降低(P<0.01)。与模型组比较,益气活血方组和西药组大鼠精神状态明显改善,心电图ST段明显回落,LVEF、LVFS升高(P<0.01),LVEDV、LVESV、LVEDd、LVEDs下降(P<0.05,P<0.01),红细胞聚集指数、卡松黏度及全血黏度下降(P<0.01);心肌纤维排列整齐,心肌细胞结构及形态改善,炎性细胞浸润减少,心肌组织METTL3、TGF-β1、Smad2、Smad3 mRNA和蛋白表达降低(P<0.05,P<0.01),HAND2mRNA和蛋白表达升高(P<0.05,P<0.01)。结论益气活血方能减轻冠心病气虚血瘀证大鼠心肌组织病理损伤,提高心功能,抑制炎症反应,其作用机制可能与调控METTL3/HAND2/TGF-β1信号轴有关。 展开更多
关键词 益气活血方 冠心病 气虚血瘀证 甲基转移酶3 心脏神经嵴衍生物表达蛋白2 TGF-β1/Smads通路 病证结合 大鼠
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A Flexible Smart Healthcare Platform Conjugated with Artificial Epidermis Assembled by Three‑Dimensionally Conductive MOF Network for Gas and Pressure Sensing
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作者 Qingqing Zhou Qihang Ding +8 位作者 Zixun Geng Chencheng Hu Long Yang Zitong Kan Biao Dong Miae Won Hongwei Song Lin Xu Jong Seung Kim 《Nano-Micro Letters》 SCIE EI CAS 2025年第2期601-620,共20页
The rising flexible and intelligent electronics greatly facilitate the noninvasive and timely tracking of physiological information in telemedicine healthcare.Meticulously building bionic-sensitive moieties is vital f... The rising flexible and intelligent electronics greatly facilitate the noninvasive and timely tracking of physiological information in telemedicine healthcare.Meticulously building bionic-sensitive moieties is vital for designing efficient electronic skin with advanced cognitive functionalities to pluralistically capture external stimuli.However,realistic mimesis,both in the skin’s three-dimensional interlocked hierarchical structures and synchronous encoding multistimuli information capacities,remains a challenging yet vital need for simplifying the design of flexible logic circuits.Herein,we construct an artificial epidermal device by in situ growing Cu_(3)(HHTP)_(2) particles onto the hollow spherical Ti_(3)C_(2)T_(x) surface,aiming to concurrently emulate the spinous and granular layers of the skin’s epidermis.The bionic Ti_(3)C_(2)T_(x)@Cu_(3)(HHTP)_(2) exhibits independent NO_(2) and pressure response,as well as novel functionalities such as acoustic signature perception and Morse code-encrypted message communication.Ultimately,a wearable alarming system with a mobile application terminal is self-developed by integrating the bimodular senor into flexible printed circuits.This system can assess risk factors related with asthmatic,such as stimulation of external NO_(2) gas,abnormal expiratory behavior and exertion degrees of fingers,achieving a recognition accuracy of 97.6%as assisted by a machine learning algorithm.Our work provides a feasible routine to develop intelligent multifunctional healthcare equipment for burgeoning transformative telemedicine diagnosis. 展开更多
关键词 Ti_(3)C_(2)T_(x)@Cu_(3)(HHTP)_(2)composites NO_(2)/pressure flexible sensors Health-monitoring Machine learning
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Uncovering the oxidation mechanism of sphalerite(ZnS)in the absence and presence of water:A first-principles investigation
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作者 Yuanjia Luo Wei Sun +2 位作者 Haisheng Han Jian Peng Feng Jiang 《International Journal of Mining Science and Technology》 2025年第1期149-157,共9页
Herein,a first-principles investigation was innovatively conducted to research the surface oxidation of ZnS-like sphalerite in the absence and presence of H_(2)O .The findings showed that single O_(2) was preferred to... Herein,a first-principles investigation was innovatively conducted to research the surface oxidation of ZnS-like sphalerite in the absence and presence of H_(2)O .The findings showed that single O_(2) was preferred to be dissociated adsorption on sphalerite surface by generating SAO and Zn AO bonds,and the S atom on the surface was the most energy-supported site for O_(2) adsorption,on which a≡Zn-O-S-O-Zn≡structure will be formed.However,dissociated adsorption of single H_(2)O will not happen.It was preferred to be adsorbed on the top Zn atom on sphalerite surface in molecular form through Zn-O bond.Besides,sphalerite oxidation can occur as if O_(2) was present regardless of the presence of H_(2)O ,and when H_(2)O and O_(2) coexisted,the formation of sulfur oxide(SO_(2) )needed a lower energy barrier and it was easier to form on sphalerite surface than that only O_(2) existed.In the absence of H_(2)O ,when SO_(2) was generated,further oxidation of which would form neutral zinc sulfate.In the presence of H_(2)O ,the formation of SO_(2) on sphalerite surface was easier and the rate of further oxidation to form sulfate was also greater.Consequently,the occurrence of sphalerite oxidation was accelerated. 展开更多
关键词 FIRST-PRINCIPLES Oxidation SPHALERITE H_(2)O Lower energy barrier
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Sulfur doping and oxygen vacancy in In_(2)O_(3) nanotube co-regulate intermediates of CO_(2) electroreduction for efficient HCOOH production and rechargeable Zn-CO_(2) battery
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作者 Yu Li Zhengrong Xu +2 位作者 Quanxin Guo Qin Li Rui Liu 《Journal of Energy Chemistry》 2025年第2期474-484,I0010,共12页
By manipulating the distribution of surface electrons,defect engineering enables effective control over the adsorption energy between adsorbates and active sites in the CO_(2)reduction reaction(CO_(2)RR).Herein,we rep... By manipulating the distribution of surface electrons,defect engineering enables effective control over the adsorption energy between adsorbates and active sites in the CO_(2)reduction reaction(CO_(2)RR).Herein,we report a hollow indium oxide nanotube containing both oxygen vacancy and sulfur doping(V_o-Sx-In_(2)O_(3))for improved CO_(2)-to-HCOOH electroreduction and Zn-CO_(2)battery.The componential synergy significantly reduces the*OCHO formation barrier to expedite protonation process and creates a favorable electronic micro-environment for*HCOOH desorption.As a result,the CO_(2)RR performance of Vo-Sx-In_(2)O_(3)outperforms Pure-In_(2)O_(3)and V_o-In_(2)O_(3),where V_o-S53-In_(2)O_(3)exhibits a maximal HCOOH Faradaic efficiency of 92.4%at-1,2 V vs.reversible hydrogen electrode(RHE)in H-cell and above 92%over a wide window potential with high current density(119.1 mA cm^(-2)at-1.1 V vs.RHE)in flow cell.Furthermore,the rechargeable Zn-CO_(2)battery utilizing V_o-S53-In_(2)O_(3)as cathode shows a high power density of 2.29 mW cm^(-2)and a long-term stability during charge-discharge cycles.This work provides a valuable perspective to elucidate co-defective catalysts in regulating the intermediates for efficient CO_(2)RR. 展开更多
关键词 CO_(2)electroreduction Oxygen vacancy Sulfur doping In_(2)0_(3) Intermediate Zn-CO_(2)battery
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Exploring Lifshitz transition and superconductivity in 3R-NbS_(2) under pressure
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作者 Kun Chen Xindeng Lv +2 位作者 Simin Li Yanping Huang Tian Cui 《Chinese Physics B》 2025年第3期161-166,共6页
The interplay between electronic topological phase transitions and superconductivity in the field of condensed matter physics has consistently captivated researchers.Here we have succeeded in modulating the Lifshitz t... The interplay between electronic topological phase transitions and superconductivity in the field of condensed matter physics has consistently captivated researchers.Here we have succeeded in modulating the Lifshitz transition by pressure and realized superconductivity.At 25.7 GPa,superconductivity with a transition temperature of 1.9 K has been observed in 3R-NbS_(2).The Hall coefficient changes from negative to positive at 14 GPa,indicating a Lifshitz transition in 3R-NbS_(2),and the carrier concentration continues to increase with increasing pressure.X-ray diffraction results indicate that the appearance of superconductivity cannot be attributable to structural transitions.Based on theoretical calculations,the emergence of a new band is attributed to the Lifshitz transition and the new band coincides with the Fermi surface at the pressure of 30 GPa.These findings provide new insights into the relationship between the Lifshitz transition and superconductivity. 展开更多
关键词 high pressure SUPERCONDUCTIVITY Lifshitz transition 3R-NbS_(2)
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Sesamin is an effective spleen tyrosine kinase inhibitor against IgE-mediated food allergy in computational,cell-based and animal studies
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作者 Yu Li Xuerui Chen +4 位作者 Longhua Xu Xintong Tan Dapeng Li Dongxiao Sun-Waterhouse Feng Li 《Food Science and Human Wellness》 2025年第2期469-483,共15页
Food allergy has become a global concern.Spleen tyrosine kinase(SYK)inhibitors are promising therapeutics against allergic disorders.In this study,a total of 300 natural phenolic compounds were firstly subjected to vi... Food allergy has become a global concern.Spleen tyrosine kinase(SYK)inhibitors are promising therapeutics against allergic disorders.In this study,a total of 300 natural phenolic compounds were firstly subjected to virtual screening.Sesamin and its metabolites,sesamin monocatechol(SC-1)and sesamin dicatechol(SC-2),were identified as potential SYK inhibitors,showing high binding affinity and inhibition efficiency towards SYK.Compared with R406(a traditional SYK inhibitor),sesamin,SC-1,and SC-2 had lower binding energy and inhibition constant(Ki)during molecular docking,exhibited higher bioavailability,safety,metabolism/clearance rate,and distribution uniformity ADMET predictions,and showed high stability in occupying the ATP-binding pocket of SYK during molecular dynamics simulations.In anti-dinitrophenyl-immunoglobulin E(Anti-DNP-Ig E)/dinitrophenyl-human serum albumin(DNP-HSA)-stimulated rat basophilic leukemia(RBL-2H3)cells,sesamin in the concentration range of 5-80μmol/L influenced significantly the degranulation and cytokine release,with 54.00%inhibition againstβ-hexosaminidase release and 58.45%decrease in histamine.In BALB/c mice,sesamin could ameliorate Anti-DNP-Ig E/DNP-HSA-induced passive cutaneous anaphylaxis(PCA)and ovalbumin(OVA)-induced active systemic anaphylaxis(ASA)reactions,reduce the levels of allergic mediators(immunoglobulins and pro-inflammatory cytokines),partially correct the imbalance of T helper(Th)cells differentiation in the spleen,and inhibit the phosphorylation of SYK and its downstream signaling proteins,including p38 mitogen-activated protein kinases(p38 MAPK),extracellular signalregulated kinases(ERK),and p65 nuclear factor-κB(p65 NF-κB)in the spleen.Thus,sesamin may be a safe and versatile SYK inhibitor that can alleviate Ig E-mediated food allergies. 展开更多
关键词 Food allergy Spleen tyrosine kinase SESAMIN Computational tools RBL-2H3 cells BALB/c mice
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Spatially confined synthesis of TiNb_(2)O_(7)quantum dots onto mesoporous carbon and Ti_(3)C_(2)T_(X)MXene for boosting lithium storage
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作者 Daoguang Sun Cheng Tang +5 位作者 Haitao Li Xinlin Zhang Guanjia Zhu Zhen-Dong Huang Aijun Du Haijiao Zhang 《Green Energy & Environment》 2025年第2期358-366,共9页
TiNb_(2)O_(7)has been emerged as one of the most promising electrode materials for high-energy lithium-ion batteries.However,limited by the slow electron/ion transport kinetics,and insufficient active sites in the bul... TiNb_(2)O_(7)has been emerged as one of the most promising electrode materials for high-energy lithium-ion batteries.However,limited by the slow electron/ion transport kinetics,and insufficient active sites in the bulk structure,the TiNb_(2)O_(7)electrode still suffers from unsatisfactory lithium storage performance.Herein,we demonstrate a spatially confined strategy toward a novel TiNb_(2)O_(7)-NMC/MXene composite through a triblock copolymer-directed one-pot solvothermal route,where TiNb_(2)O_(7)quantum dots with a particle size of 2-3 nm are evenly embedded into N-doped mesoporous carbon(NMC)and Ti_(3)C_(2)T_(X)MXene.Impressively,the as-prepared TiNb_(2)O_(7)-NMC/MXene anode exhibits a high reversible capacity(486.2 mAh g^(-1)at 0.1 A g^(-1)after 100 cycles)and long cycle lifespan(363.4 mAh g^(-1)at ss1 A g^(-1)after 500 cycles).Both experimental and theorical results further demonstrate that such a superior lithium storage performance is mainly ascribed to the synergistic effect among 0D TiNb_(2)O_(7)quantum dots,2D Ti_(3)C_(2)T_(X)MXene nanosheets,and N-doped mesoporous carbon.The strategy presented also opens up new horizon for space-confined preparation of high-performance electrode materials. 展开更多
关键词 TiNb_(2)O_(7)quantum dots Ti_(3)C_(2)T_(X)MXene Mesoporous carbon Confined synthesis Lithium-ion batteries
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Electronic modulation induced by coupling RuO_(2)with electron-donating Co_(3)O_(4)for high-active and long-life rechargeable Zn-air batteries
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作者 Xuena Ma Zhangxin Xu +4 位作者 Mingyang Liu Panzhe Qiao Qi Li Ruihong Wang Baojiang Jiang 《Journal of Energy Chemistry》 2025年第2期99-109,I0004,共12页
Electronic-state modulation strategy offers great potential in designing RuO_(2)-based bifunctionalelectrocatalysts for rechargeable Zn-air batteries(ZABs).Various three-dimensional(3D)transition metal oxides are atte... Electronic-state modulation strategy offers great potential in designing RuO_(2)-based bifunctionalelectrocatalysts for rechargeable Zn-air batteries(ZABs).Various three-dimensional(3D)transition metal oxides are attempted to couple with RuO_(2)for constructing an appropriate Ru—O—M interface.This work aims to construct Co_(3)O_(4)-RuO_(2)heterostructures on carbon sheets(Co_(3)O_(4)/RuO_(2)/NCNS)for boosting electronic transfer and regulation.Experiments and theoretical calculations identify the electronic transfer from Co_(3)O_(4)to RuO_(2)that modulates the electronic structure of metal surfaces/interfaces.Specifically,it leads to the increase in Co3+content,electron-rich state at RuO_(2)surface and electronic accumulation at interfaces.Moreover,this electronic-state modulation optimizes the d-band center in Co_(3)O_(4)/RuO_(2)that lowers the reaction barriers and endows interfaces as the biggest contributor to oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)performance,The Co_(3)O_(4)/RuO_(2)/NCNS shows a quite low potential difference of 0.62 V and remarkable durability for ORR/OER.Co_(3)O_(4)/RuO_(2)/NCNS-assembled ZABs exhibit an excellent specific capacity of 818.3 mA h g^(-1)and a superior lifespan over 750 h. 展开更多
关键词 Co_(3)O_(4)-RuO_(2)heterostructure Electronic modulation Reaction energy barrier Zn-air battery Charge-discharge stability
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Exploring the effects of angle of incidence on stabbing resistance in advanced protective textiles:Novel experimental framework and analysis
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作者 Mulat Alubel Abtew François Boussu Irina Cristian 《Defence Technology(防务技术)》 2025年第2期67-82,共16页
Despite numerous research investigations to understand the influences of various structural parameters,to the authors'knowledge,no research has been the effect of different angles of incidence on stab response and... Despite numerous research investigations to understand the influences of various structural parameters,to the authors'knowledge,no research has been the effect of different angles of incidence on stab response and performance of different types of protective textiles.Three distinct structures of 3D woven textiles and 2D plain weave fabric made with similar high-performance fiber and areal density were designed and manufactured to be tested.Two samples,one composed of a single and the other of 4-panel layers,from each fabric type structure,were prepared,and tested against stabbing at[0○],[22.5○],and[45○]angle of incidence.A new stabbing experimental setup that entertained testing of the specimens at various angles of incidence was engineered and utilized.The stabbing bench is also equipped with magnetic sensors and a UK Home Office Scientific Development Branch(HOSDB)/P1/B sharpness engineered knives to measure the impact velocity and exerted impact energy respectively.A silicon compound was utilized to imprint the Back Face Signature(BFS)on the backing material after every specimen test.Each silicon print was then scanned,digitized,and precisely measured to evaluate the stab response and performance of the specimen based on different performance variables,including Depth of Trauma(DOT),Depth of Penetration(DOP),and Length of Penetration(LOP).Besides,the post-impact surface failure modes of the fabrics were also measured using Image software and analyzed at the microscale level.The results show stab angle of incidence greatly influences the stab response and performance of protective textiles.The outcome of the study could provide not only valuable insights into understanding the stab response and capabilities of protective textiles under different angle of incidence,but also provide valuable information for protective textile manufacturer,armor developer and stab testing and standardizing organizations to consider the angle of incidence while developing,testing,optimizing,and using protective textiles in various applications. 展开更多
关键词 2D/3D woven fabrics Impact protective fabric Drop tower perforation test Stab resistance testing protocol Angle of incidence Multi-layer panels Soft body armor Impact surface damage
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稀土固体超强酸SO4^2-/ZrO2-SnO2-Nd2O3的制备及催化合成乙酸松油酯 被引量:10
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作者 李淑敏 郭海福 +4 位作者 吴燕妮 闫鹏 李湘 王兰英 周启斌 《应用化学》 CAS CSCD 北大核心 2009年第5期576-581,共6页
采用分沉淀-共浸渍法制备了新型稀土固体超强酸SO42-/ZrO2-SnO2-Nd2O3,利用IR、TG-DTA、XRD测试技术表征了催化剂的物化性质,并用于催化乙酸酐和松油醇合成乙酸松油酯,显示了良好的反应活性和重复使用性。对反应条件进行优化的结果表明... 采用分沉淀-共浸渍法制备了新型稀土固体超强酸SO42-/ZrO2-SnO2-Nd2O3,利用IR、TG-DTA、XRD测试技术表征了催化剂的物化性质,并用于催化乙酸酐和松油醇合成乙酸松油酯,显示了良好的反应活性和重复使用性。对反应条件进行优化的结果表明,n(松油醇)∶n(乙酸酐)=1∶1.5,反应温度50℃,反应时间5 h,催化剂用量占松油醇质量分数的2%,在此反应条件下松油醇的转化率为93%左右,产物中乙酸松油酯的含量为88%。催化剂失活主要原因是由于有机物在表面吸附,通过无水乙醇洗涤,干燥,即可再生。 展开更多
关键词 稀土 固体超强酸 SO42-/ZrO2-Sno2-Nd2o3 乙酸松油酯 酯化反应
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SnO2-MoO3-x/CNTs纳米复合材料在锂离子电池负极中的性能 被引量:2
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作者 何声太 陈媛 曾林海 《天津工业大学学报》 CAS 北大核心 2021年第1期48-52,59,共6页
为了改善SnO2-MoO3-x纳米复合材料在锂离子电池负极中的性能,通过水热法制得SnO2-MoO3-x/CNTs纳米复合材料,并研究CNTs的含量对纳米复合材料性能的影响;通过XRD与SEM对所得纳米复合材料进行表征,将材料组装为扣式电池,利用电化学工作站... 为了改善SnO2-MoO3-x纳米复合材料在锂离子电池负极中的性能,通过水热法制得SnO2-MoO3-x/CNTs纳米复合材料,并研究CNTs的含量对纳米复合材料性能的影响;通过XRD与SEM对所得纳米复合材料进行表征,将材料组装为扣式电池,利用电化学工作站、蓝电电池测试系统等进行电化学性能测试。结果表明:CNTs的加入可以有效减小SnO2-MoO3-x纳米复合材料表面团聚现象,对纳米复合材料的电化学性能方面有明显的改善;当CNTs的加入质量分数为15%时,SnO2-MoO3-x/CNTs纳米复合材料的电化学性能最好,在100圈循环后仍然具有532.6 mA·h/g的放电比容量,库伦效率高达99.0%。 展开更多
关键词 锂离子电池 负极材料 Sno2 Moo3-x 碳纳米管 纳米复合材料
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