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| 1 | Structural basis of SARS-CoV-2 3CL^pro and anti-COVID-19 drug discovery from medicinal plants显示文摘The recent pandemic of coronavirus disease 2019(COVID-19)caused by SARS-CoV-2 has raised global health concerns.The viral 3-chymotrypsin-like cysteine protease(3CL^pro)enzyme controls coronavirus replication and is essential for its life cycle.3CL^pro is a proven drug discovery target in the case of severe acute respiratory syndrome coronavirus(SARS-CoV)and Middle East respiratory syndrome coronavirus(MERS-CoV).Recent studies revealed that the genome sequence of SARS-CoV-2 is very similar to that of SARS-CoV.Therefore,herein,we analysed the 3CL^pro sequence,constructed its 3D homology model,and screened it against a medicinal plant library containing 32,297 potential anti-viral phytochemicals/traditional Chinese medicinal compounds.Our analyses revealed that the top nine hits might serve as potential anti-SARS-CoV-2 lead molecules for further optimisation and drug development process to combat COVID-19. | Muhammad Tahir ul Qamar Safar MAlqahtani Mubarak AAlamri Ling-Ling Chen | 2020 | Journal of Pharmaceutical Analysis2020，10，4： | 29 |
| 2 | 稻壳和麦麸对鲜玉米秸秆青贮品质的影响显示文摘为更好地利用稻壳和麦麸,本试验将2者与新鲜玉米(Zea mays L.)秸秆按不同比例混合青贮,发酵60天后测定其青贮品质和营养成分,以期筛选出混贮的最佳比例。结果表明,与鲜玉米秸秆单独青贮(对照)相比,麦麸和鲜玉米秸秆混合青贮的干物质、可溶性碳水化合物和粗蛋白含量均显著提高(P<0.05),但丁酸含量超过1%,发酵品质较差;与对照相比,稻壳与鲜玉米秸秆混合青贮的粗蛋白、可溶性碳水化合物含量和氨态氮/总氮的值均显著下降(P<0.05);稻壳、麦麸与鲜玉米秸秆混合青贮的发酵品质与对照相当,但干物质含量显著提高(P<0.05),且M1F1(5%麦麸+10%稻壳+85%鲜玉米秸秆)处理的Kaiser法评分最高。因此,建议将麦麸、稻壳和鲜玉米秸秆按5∶10∶85的鲜重比混合青贮。 | 杜昭昌 王红 闫艳红 Muhammad Tahir 韦潇 曾泰儒 李洪亮 | 2021 | 草地学报2021，29，7： | 12 |
| 3 | 苹果赤霉素信号转导因子MdGAMYB的克隆和表达分析显示文摘以‘长富2号’苹果为试验材料,从其短枝顶芽中克隆得到1个赤霉素信号转导因子MdGAMYB,对其进行生物信息学和表达分析。结果表明,MdGAMYB的开放阅读框(ORF)长度为1 656bp,编码551个氨基酸,蛋白质分子量为59.741 kD。生物信息学分析表明MdGAMYB编码的蛋白存在多个糖基化位点和磷酸化位点;序列分析表明,Md GAYMB和其他物种的GAMYB蛋白有很高的相似性,均含有保守的R2R3 DNA结合域和GAMYB家族所特有的Box1,Box2和Box3保守区域;系统进化分析表明,Md GAYMB与梨、梅花、草莓、枣和葡萄等的GAMYB蛋白具有较高的同源性。实时荧光定量PCR分析表明,Md GAYMB具有组织表达特异性,在叶片、花和芽中的表达量较高。外源GA3处理抑制了花芽孕育和翌年成花,抑制MdGAMYB的表达。在易成花品种‘烟富6号’中的表达量高于难成花品种‘长富2号’。 | 樊胜 雷超 辛明志 邵红霞 Muhammad Mobeen Tahir 张东 韩明玉 | 2017 | 园艺学报2017，44，5： | 11 |
| 4 | 黄土高原半干旱偏旱区草粮轮作田土壤水分恢复效应模拟显示文摘采用实地调查和EPIC模型相结合的方法,模拟研究了黄土高原半干旱偏旱区不同草粮轮作模式的土壤水分恢复效应.结果表明:多年生苜蓿地和苜蓿翻耕后种植粮食作物农田0~10m土层土壤湿度调查值与模拟值间的相关系数均超过0.9(P<0.01),相对均方根误差在0.05~0.16,相对误差均低于10%;模拟与实测的土壤湿度剖面分布变化趋势一致.在黄土高原半干旱偏旱区,苜蓿地深层土壤干层恢复难度较大,在种植苜蓿期间应避免8~10m土层土壤湿度降到5.7%以下.苜蓿地适宜种植年限为4~6a,最长不应超过8a.苜蓿翻耕后适宜采用马铃薯→马铃薯→春小麦轮作模式进行土壤水分恢复,32~33a后可以再次种植苜蓿. | 王学春 李军 方新宇 孙剑 Muhammad Naveed Tahir | 2011 | 应用生态学报2011，22，1： | 8 |
| 5 | Psychophysiological Effects of Bamboo Plants on Adults显示文摘The present study was conducted to clarify the psychophysiological relaxation effects of viewing bamboo on university students. Forty healthy Chinese participants enrolled in this study to clarify the psychophysiological relaxation effects of viewing bamboo. The effects of visual stimulation using a pot both with and without a bamboo were recorded by measuring the student's blood pressure, EEG and STAI. We observed that viewing bamboo plants resulted in significantly lower systolic(female, P < 0.001; male, P < 0.001; P < 0.05) and diastolic(female,P < 0.001; male, P < 0.001; P < 0.05) blood pressures, but no changes in the pulse rate(female, P = 0.09; male, P = 0.07; P > 0.05) were observed. The results of the EEG analysis indicated brainwave variation(all P < 0.05) and lower anxiety scores(P < 0.01) after 3 min of viewing bamboo compared with the control. These findings indicate that visual stimulation with bamboo plants induced psychophysiological relaxation effects on adults. | Ahmad Hassan CHEN Qi Bing JIANG Tao LYU Bing Yang LI Nian LI Shu SHANGGUAN Zi Yue LI Yun Ting JUN Zhou Li LUO Qian CHEN Xin Yi WANG Yi Yan ZENG Cheng Cheng YANG Jun Muhammad Sohaib Tahir | 2017 | Biomedical and Environmental Sciences2017，30，11： | 8 |
| 6 | 国外农业航空静电喷雾技术研究进展与借鉴显示文摘农业航空静电喷雾技术作为中国发展精准农业航空应用技术的内容之一,对农药的有效利用和减少环境污染有积极意义。农业航空静电喷雾技术在国外发展较早也相对成熟,美国已有应用于有人机的商业化产品,并在美国、巴西等国各类粮食作物、经济作物和杂草防治作业中开展了大规模田间应用。该研究首先从基础研究、田间应用和优化工作等方面梳理了国外农业航空静电喷雾技术的研究进展,分析了农业航空静电喷雾技术在增加雾滴沉积、减少飘移和具备低施药液量等方面的优势。在此基础上结合中国植保无人机快速发展的实际对研究和应用适合中国国情的农业航空静电喷雾技术进行思考,提出了农业航空静电喷雾技术的研究路线,最后从采用接触式等非感应式充电方式、开发农业航空静电喷雾的测量技术,以及思考荷质比作为衡量指标的意义等方面探讨了可进行深入研究的方向。中国农业航空静电喷雾技术研究特别在植保无人机静电喷雾技术方面的研究与应用有很大的发展空间,可参考国外经验,围绕航空静电喷雾技术的基础性研究、田间试验、成果转化、示范推广和服务指导全方面制定发展规划,把单一强调对雾滴带电的实现转向对技术系统的整体研究。 | 张亚莉 黄鑫荣 王林琳 邓继忠 曾文 兰玉彬 Muhammad Naveed Tahir | 2021 | 农业工程学报2021，37，6： | 7 |
| 7 | 自噬相关蛋白激酶的研究进展显示文摘自噬是细胞在应激过程中为了维持细胞稳态进行自我降解的过程,适度的细胞自噬有利于细胞生存,但是自噬水平过高或过低都会导致细胞内稳态失衡,甚至细胞死亡,且自噬水平变化与癌症等多种疾病相关.激酶在自噬调控通路中必不可少,近年来对于自噬的研究越来越深入,关于调节自噬进程的蛋白激酶研究也更加全面,有些蛋白激酶直接作为自噬核心蛋白发挥作用,比如unc-51样自噬激活蛋白激酶1(ULK1)/自噬相关蛋白1(Atg1)和Ⅲ类磷脂酰肌醇3-激酶(PI3K),还有些蛋白通过磷酸化自噬核心蛋白对自噬进行调控,比如雷帕霉素靶点蛋白(TOR)、AMP激活蛋白激酶(AMPK)、蛋白激酶C(PKC)、丝裂原活化蛋白激酶(MAPK).以细胞自噬为基础,对蛋白激酶,TOR,ULK1/Atg1,MAPK,PI3K,AMPK和PKC的研究现状进行了综述. | 宋嘉宁 MUHAMMAD Tahir 张文婷 王娟 | 2021 | 河北师范大学学报(自然科学版)2021，45，6： | 7 |
| 8 | Estimation and inter-comparison of dust aerosols based on MODIS, MISR and AERONET retrievals over Asian desert regions显示文摘This study presents detailed analysis of spatiotemporal variations and trend of dust optical properties i.e., Aerosol Optical Depth(AOD) and Angstrom component over Asian desert regions using thirteen years of data(i.e., 2001–2013) retrieved from Aerosol Robotic Network(AERONET), Moderate Resolution Imaging Spectroradiometer(MODIS) and Multi-angle Imaging Spectroradiometer(MISR). These regions include Solar Village, Dunhuang and Dalangzadgad and are considered as origin of desert aerosols in Asia. Mann–Kendall trend test was used to show the trend of AOD. The relationship of AOD with weather parameters and general AOD trend over different wavelengths has also been shown. AOD's trend has been observed significant throughout the year in Solar Village, while in Dunhuang and Dalanzadgad the significant trend has been found only in peak period(March–June).Analysis show high values of AOD and low values of angstrom in Solar Village during peak period. In Chinese desert regions, high values of AOD have been found during peak period and low values in pre-peak period. Significant relationship has been observed between AOD and average temperature in Solar Village and Dalanzadgad whereas rainfall and wind speed showed no significant impact on AOD in all desert regions. | Ammara Habib Bin Chen Bushra Khalid Saichun Tan Huizheng Che Tariq Mahmood Guangyu Shi Muhammad Tahir Butt | 2019 | Journal of Environmental Sciences2019，31，2： | 5 |
| 9 | Nat Med:靶向两分子或有助于彻底治愈白血病显示文摘科学家在癌细胞内发现两个信号蛋白能够让癌细胞抵抗化疗。研究表明阻断这两种蛋白能够增强化疗对人类白血病小鼠模型的治疗效果。相关研究结果发表在国际学术期刊NatureMedicine上。研究人员发现在治疗中阻断c-Fos和Dusp1这两个蛋白能够治愈一些受激酶驱动且抵抗治疗的白血病和实体瘤。 | Meenu Kesarwani, Zachary Kincaid, Ahmed Gomaa, Erika Huber, Sara Rohrabaugh, Zain Siddiqui, Muhammad F Bouso, Kakajan Komurov, James C Mulloy, Jose A Cancelas, H Leighton Grimes Mohammad Azam Tahir Latif Ming Xu H Leighton Grimes Mohammad Azam | 2017 | 现代生物医学进展2017，17，17： | 4 |
| 10 | Plasmon Assisted Highly Efficient Visible Light Catalytic CO_(2) Reduction Over the Noble Metal Decorated Sr-Incorporated g-C_(3)N_(4)显示文摘The photocatalytic performance of g-C_(3)N_(4) for CO_(2) conversion is still inadequate by several shortfalls including the instability,insu cient solar light absorption and rapid charge carrier's recombination rate. To solve these problems,herein,noble metals(Pt and Au)decorated Sr-incorporated g-C_(3)N_(4) photocatalysts are fabricated via the simple calcination and photo-deposition methods. The Sr-incorporation remarkably reduced the g-C_(3)N_(4) band gap from 2.7 to 2.54 eV,as evidenced by the UV–visible absorption spectra and the density functional theory results. The CO_(2) conversion performance of the catalysts was evaluated under visible light irradiation. The Pt/0.15 Sr-CN sample produced 48.55 and 74.54 μmol h-1 g-1 of CH_(4) and CO,respectively.These amounts are far greater than that produced by the Au/0.15 Sr-CN,0.15 Sr-CN,and CN samples. A high quantum e ciency of 2.92% is predicted for the Pt/0.15 Sr-CN sample. Further,the stability of the photocatalyst is confirmed via the photocatalytic recyclable test. The improved CO_(2) conversion performance of the catalyst is accredited to the promoted light absorption and remarkably enhanced charge separation via the Sr-incorporated mid gap states and the localized surface plasmon resonance e ect induced by noble metal nanoparticles.This work will provide a new approach for promoting the catalytic e ciency of g-C_(3)N_(4) for e cient solar fuel production. | Muhammad Humayun Habib Ullah Lang Shu Xiang Ao Asif Ali Tahir Chungdong Wang Wei Luo | 2021 | Nano-Micro Letters2021，13，12： | 4 |
| 11 | 微通道内液滴/气泡破裂动力学分析显示文摘微化学工程与技术是现代化学工程学科的前沿领域。微通道内液滴及气泡破裂动力学是决定多相过程并行微通道数目放大的基础与难点。破裂流型转换条件、界面动力学和尺寸调控等三方面是微通道内液滴与气泡破裂动力学的主要研究对象。讨论了对称微通道、非对称微通道、多级微通道、旁路微通道、含有障碍物的微通道内气泡和液滴破裂行为及影响因素,指出了目前微尺度下气泡与液滴破裂行为相关研究工作存在的不足,并对该领域未来的发展进行了展望。 | 付涛涛 徐子懿 Tahir Muhammad Faran Cumbula Armando José 姜韶堃 朱春英 马友光 | 2018 | 化工学报2018，69，11： | 4 |
| 12 | Roles of insulin-like growth factor Ⅱ in regulating female reproductive physiology显示文摘The number of growth factors involved in female fertility has been extensively studied, but reluctance to add essential growth factors in culture media has limited progress in optimizing embryonic growth and implantation outcomes, a situation that has ultimately led to reduced pregnancy outcomes. Insulin-like growth factor Ⅱ(IGF-Ⅱ) is the most intricately regulated of all known reproduction-related growth factors characterized to date, and is perhaps the predominant growth factor in human ovarian follicles. This review aims to concisely summarize what is known about the role of IGF-Ⅱ in follicular development, oocyte maturation, embryonic development, implantation success, placentation, fetal growth, and in reducing placental cell apoptosis, as well as present strategies that use growth factors in culture systems to improve the developmental potential of oocytes and embryos in different species. Synthesizing the present knowledge about the physiological roles of IGF-Ⅱ in follicular development, oocyte maturation, and early embryonic development should, on the one hand, deepen our overall understanding of the potential beneficial effects of growth factors in female reproduction and on the other hand support development(optimization) of improved outcomes for assisted reproductive technologies. | Tahir Muhammad Mengjing Li Jianfeng Wang Tao Huang Shigang Zhao Han Zhao Hongbin Liu Zi-Jiang Chen | 2020 | Science China(Life Sciences)2020，63，6： | 4 |
| 13 | UV Assisted Preliminary DNA Binding Studies and Single-crystal X-ray Structure of 4-{(4-Nitrophenyl-sulfonamido)methyl}cyclohexanecarboxylic Acid显示文摘A new sulfonamide, 4-{(4-nitrophenylsulfonamido)methyl}cyclohexanecarboxylic acid(C14H18N2O6S), has been synthesized by the reaction of tranexamic acid and 4-nitrobenzenesulfonyl chloride in basic medium at room temperature. The molecular structure was determined by FT-IR, NMR, elemental analysis and single-crystal X-ray technique. X-ray diffraction shows that the compound crystallizes in the monoclinic system, space group P21/c with a = 13.5980(7), b = 4.9877(2), c = 23.3878(13) ?, β = 93.254(3)o, Z = 4, V = 1583.67(14) ?3, μ = 0.237 mm-1, F(000) = 720, R = 0.0471 and w R = 0.1182. The molecules are related by inversion and paired into dimers via C–H···O interactions. The dimmers are interlinked due to strong N–H···O bonds, where O-atoms are of sulfonyl groups. The molecules are stabilized in the form of infinite two-dimensional network with base vectors [0 1 0] and [0 0 –1] in the plane(1 0 2). The existence of good intermolecular interactions suggests the biological importance of the synthesized molecule. The compound was screened for its interaction with FS-DNA using UV-visible spectroscopy. UV-visible spectroscopic results depict that the compound interacts with DNA by mixed binding mode intercalation along with hydrogen bonding. Negative values of ΔG(–23.34, –17.79 k J·mol-1) indicate spontaneity of the compound-DNA adduct formation. | MUHAMMAD Danish RABIA Ayub Butt MUHAMMAD Nawaz Tahir MUHAMMAD Ashfaq SYEDA Tahira Hafeez | 2017 | Chinese Journal of Structural Chemistry2017，36，5： | 3 |
| 14 | Effects of age on immune function in broiler chickens显示文摘Background:There are many diseases in poultry,many of which are caused by poor immune function.It is not clear how cytokines and various immune cell functions change with age in modern broilers.The purpose of this study was to explore the patterns of development of the immunity of the broiler chickens in cage.Results:The results showed that there were 3 development patterns of immunity in the broiler chickens.The first pattern was Down-Up.Cytokines and some immune indicators first decreased and then increased,and the lowest levels of immunity basically occurred from d 6 to 13.The second pattern was Up-Down,and from d 30 to 34,the highest levels of non-specific cellular immunity components,such as the peripheral blood mononuclear macrophage ratio,specific cellular immunity components,such as the peripheral blood helper T(Th)cell ratio and T cell and B cell proliferation activity,and mucosal immunity components,such as the ileal CD4,TGF-β1 and IgA mRNA levels,were observed.The third pattern was Up-Up,and the levels of the non-specific cellular immunity components,such as the serum nitric oxide(NO),C3 and C4 levels,the specific cellular immunity components,such as the spleen index,peripheral blood IL-2,IFN-γ/IL-4,cytotoxic T(Tc)cell ratio,and splenic NF-κB mRNA levels,the humoral immunity components,such as the serum IgG level,the mucosal immunity components,such as the ileal MHC-II,CD3d,TCRβsubunit,TCRζsubunit,IFN-γ,pIgR mRNA and ileal mucosa sIgA levels,were continuing to increase from d 1 to 34.Conclusions:It could be concluded that the immune system and its function have not developed well in the broiler chickens d 6 to 13 and that the immune system does not mature until d 30 to 34 in the broiler chickens in cages.It is necessary to enhance the immune function of the broiler chickens through nutritional measures from d 1 to 30. | Bochen Song Dazhi Tang Shaojia Yan Hao Fan Guang Li Muhammad Suhaib Shahid Tahir Mahmood Yuming Guo | 2021 | Journal of Animal Science and Biotechnology2021，12，4： | 3 |
| 15 | Citrus Pan-Genome to Breeding Database(CPBD):A comprehensive genome database for citrus breeding显示文摘Dear Editor,The genus Citrus comprises more than 30 species worldwide(Swingle,1943).However,citrus genetics and traditional breeding are hindered due to asexual reproduction,long generation time,and empirical utilization of the germplasm.The whole-genome information of different citrus species accelerates the genetic studies and improves the breeding efficiency by high-density markers. | Hanmingzi Liu Xia Wang Shengjun Liu Yue Huang Yi-Xiong Guo Wen-Zhao Xie Hao Liu Muhammad Tahir ul Qamar Qiang Xu Ling-Ling Chen | 2022 | Molecular Plant2022，15，10： | 3 |
| 16 | Synthesis, Crystal Structure and Antimicrobial Activity of Ethyl 2-(1-cyclohexyl-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate显示文摘A novel 1,4,5-trisubstituted 1,2,3-triazole(C18H21N3O3) was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper(I) phenylethyne and ethoxalyl chloride at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.8167(9), b = 8.0966(6), c = 16.7079(9) , β = 98.716(2)o, Z = 4 and V = 1713.8(2). In the crystal, the molecules are related by inversion and paired into dimers via C–H···O and C–O···C interactions involving(oxo) acetate groups. Furthermore, X-ray analysis results are compared with the optimized structure computed by using B3 LYP method with 6-311 G basis set. The calculated results showed that optimized geometry can well reproduce the crystal structure parameters. The bioassay results indicate that the compound has good antibacterial and antifungal activities. | MUHAMMAD Naeem Ahmed SHAHID Hameed KHAWAJA Ansar Yasin IFZAN Arshad IHSAN-ul-Haq SAFEENA Zafar MUHAMMAD Nawaz Tahir | 2014 | Chinese Journal of Structural Chemistry2014，33，11： | 3 |
| 17 | Wolbachia pipientis:A potential candidate for combating and eradicating dengue epidemics in Pakistan显示文摘Dengue virus syndrome is an emerging global health challenge which is endemic in tropical countries like Pakistan.In recent years dengue incidences have increased considerably in different areas of Pakistan with more sever impacts on urban and peri-urban populations.This review is an effort to highlight the changing epidemiology of dengue fever,role of Government of Pakistan in disease management and control using preventive and community based approaches in the region.Moreover,there is an emphasis on application of Wolbachia as novel,inexpeasive and environmentally benign candidate for control and eradication of dengue transmitting vectors. | Uruj Tahir Umair Hassan Khan Muhammad Saad Zubair Bahar-e-Mustafa | 2015 | Asian Pacific Journal of Tropical Medicine2015，8，12： | 2 |
| 18 | 仿生脑状纳米结构的固态聚合物电解质实现快速锂离子输运显示文摘电解液的固有缺陷以及锂枝晶问题严重限制了当前商业化锂离子电池的发展.为了解决上述问题,本文通过控制加入纳米填料的形状,获得了具有仿生脑状纳米结构的固态聚合物电解质(BBLN).与传统复合聚合物固态电解质不同,我们通过添加球状核壳UIO-66@67纳米填料制备了具有仿生脑状纳米结构的固态聚合物电解质.球状UIO-66@67纳米颗粒能够有效减小聚合物基质在固化过程中的形变,从而促进形成独特的仿生脑状纳米结构.此外,球状纳米颗粒能够有效降低聚合物电解质的结晶度,提高其链段运动能力,形成连续的锂离子传输路径.基于此,仿生脑状固态聚合物电解质具有高离子电导率(9.2×10^(−4)S cm^(−1)),高锂离子迁移数(0.74)和良好的锂金属兼容性(>6500 h).本研究中提出的仿生脑状纳米结构的设计理念是一种有效增强固态电池中聚合物基电解质的离子输运的新策略. | Ahmed Eissa Abdelmaoula 杜路路 徐林 程宇 Amir AMahdy Muhammad Tahir 刘子昂 麦立强 | 2022 | Science China Materials2022，65，6： | 2 |
| 19 | Bifunctional catalysts of Co3O4@GCN tubular nanostructured (TNS) hybrids for oxygen and hydrogen evolution reactions显示文摘为氧和氢进化反应(OER/HER ) 的催化剂在精力采购例如切开的水的可更新的绿色的心。尽管不可思议的努力被作了为 OER 和她开发有效催化剂,大挑战在 bifunctional 催化剂的发展尚待。这里,我们报导公司 3 在 graphitic 碳氮化物(GCN ) 的管状的 nanostructures 嵌入并且在低温度通过一个灵巧的、大规模化学方法综合了的 O 4 。在公司 3 O 4 和 GCN 为 OER 和她作为 bifunctional 催化剂导致了优秀性能。混血儿的高表面区域,唯一的管状的 nanostructure,和作文为催化作用使所有氧化还原作用地点容易可得到并且提供了更快的离子、电子的传导。公司 3 O 4@GCN 管状的 nanostructured (TNS ) 混血儿展出了最低过电位(0.12 V ) 和优秀当前的密度(在 OER 的 147 妈 / 厘米 2) ,比基准 IrO 2 和 RuO 2, 并且与在碱的媒介的优异耐久性好。而且,公司 3 O 4@GCN TNS 混血儿在她表明了优秀性能与低得多的发作和过电位,并且稳定的当前的密度。这被期望公司 3 在这研究开发的 O 4@GCN TNS 混血儿将是在大规模水切开和燃料房间的高贵金属催化剂的一种吸引人的选择。 | Muhammad Tahir Nasir Mahmood Xiaoxue Zhang Tariq Mahmood Faheem. K. Butt Imran Aslam M.Tanveer Faryal Idrees Syed Khalid Imran Shakir Yiming Yan Jijun Zou Chuanbao Cao Yanglong Hou | 2015 | Nano Research2015，8，11： | 2 |
| 20 | The electronic and magnetic properties of wurtzite Mn:CdS, Cr:CdS and Mn:Cr:CdS: first principles calculations显示文摘In this article, density functional theory(DFT) based on generalized gradient approximation(GGA)and GGACU, U is Hubbard term, is used to study the electronic properties of CdS doped with different dopants(Cr, Mn). The calculations are carried out for Mn-doped CdS, Cr-doped CdS, and co-doping of Mn/Cr in CdS simultaneously. It is found that hopping of electrons is possible with Cr:CdS and Mn:Cr:CdS while Mn:CdS does not allow the hopping of electrons. Moreover, double exchange interactions are observed in Cr:CdS and d-d superexchange interactions are observed in Mn:CdS. Now the problem becomes interesting when one magnetic ion(Cr) supporting double exchange interactions and another ion(Mn) supporting d-d super-exchange interactions are doped simultaneously in the same system(CdS). The co-doped CdS is more stable even at high Curie temperature due to p-d double exchange interactions and d-d super exchange interactions. Furthermore, the Cr-3d and Mn-3d states present in-between the band gap are responsible for inner shell transitions and hence for optical properties.Therefore, the co-doped system is taken into account to enhance its applications in the field of spintronic and magneto-optical devices. | Azeem Nabi Zarmeena Akhtar Tahir Iqbal Atif Ali Muhammad Arshad Javid | 2017 | Journal of Semiconductors2017，38，7： | 2 |
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