Heterojunction and morphology control assume a significant part in adjusting the intrinsic electromagnetic properties of absorbers to acquire outstanding microwave absorption(MA)performance,but this still faces huge c...Heterojunction and morphology control assume a significant part in adjusting the intrinsic electromagnetic properties of absorbers to acquire outstanding microwave absorption(MA)performance,but this still faces huge challenges.Herein,FeS_(2)/C/MoS_(2)composite with core–shell structure was successfully designed and prepared via a multi-interface engineering.MoS_(2)nanosheets with 1T and 2H phases are coated on the outside of FeS_(2)/C to form a porous interconnected structure that can optimize the impedance matching characteristics and strengthen the interfacial polarization loss capacity.Remarkably,as-fabricated FCM-3 harvests a broad effective absorption bandwidth(EAB)of 5.12 GHz and a minimum reflection loss(RL_(min))value of-45.1 d B.Meanwhile,FCM-3 can accomplish a greatest radar cross section(RCS)reduction value of 18.52 d B m^(2)when the detection angle is 0°.Thus,the convenient computer simulation technology(CST)simulations and encouraging accomplishments provide a novel avenue for the further development of efficient and lightweight MA materials.展开更多
基于密度泛函理论的第一性原理方法,计算了Se掺杂单层MoS_2能带结构和光吸特性,并分析了对其光解水性质的影响。结果表明:本征单层MoS_2为直接带隙结构,禁带宽度为1.740 e V,导带底电位在H+/H2还原势之上0.430 e V,价带顶电位在O2/H2O...基于密度泛函理论的第一性原理方法,计算了Se掺杂单层MoS_2能带结构和光吸特性,并分析了对其光解水性质的影响。结果表明:本征单层MoS_2为直接带隙结构,禁带宽度为1.740 e V,导带底电位在H+/H2还原势之上0.430 e V,价带顶电位在O2/H2O的氧化势之下0.080 e V,具有可见光催化分解水的能力,但氧化和还原能力不均衡,导致单层MoS_2作为光催化剂分解水的效率不高。通过Se掺杂计算发现,单层MoS_2的禁带宽度变为1.727 e V,相应的光吸收谱变化幅度几乎不变,且体系的形成能较低,表明其热力学稳定性良好。然而,导带底电位调整到H+/H2还原势之上0.253 e V,价带顶电位处于O2/H2O的氧化势之下0.244e V,平衡了氧化与还原能力,单层MoS_2可见光催化分解水的效率得到提高。展开更多
基金financially supported by the National Natural Science Foundation of China(Nos.52402354,62174016 and 12374394)China Postdoctoral Science Foundation(Nos.2023M740471)the Natural Science Foundation of Jiangsu Higher Education Institutions(Nos.24KJB430002)。
文摘Heterojunction and morphology control assume a significant part in adjusting the intrinsic electromagnetic properties of absorbers to acquire outstanding microwave absorption(MA)performance,but this still faces huge challenges.Herein,FeS_(2)/C/MoS_(2)composite with core–shell structure was successfully designed and prepared via a multi-interface engineering.MoS_(2)nanosheets with 1T and 2H phases are coated on the outside of FeS_(2)/C to form a porous interconnected structure that can optimize the impedance matching characteristics and strengthen the interfacial polarization loss capacity.Remarkably,as-fabricated FCM-3 harvests a broad effective absorption bandwidth(EAB)of 5.12 GHz and a minimum reflection loss(RL_(min))value of-45.1 d B.Meanwhile,FCM-3 can accomplish a greatest radar cross section(RCS)reduction value of 18.52 d B m^(2)when the detection angle is 0°.Thus,the convenient computer simulation technology(CST)simulations and encouraging accomplishments provide a novel avenue for the further development of efficient and lightweight MA materials.
文摘基于密度泛函理论的第一性原理方法,计算了Se掺杂单层MoS_2能带结构和光吸特性,并分析了对其光解水性质的影响。结果表明:本征单层MoS_2为直接带隙结构,禁带宽度为1.740 e V,导带底电位在H+/H2还原势之上0.430 e V,价带顶电位在O2/H2O的氧化势之下0.080 e V,具有可见光催化分解水的能力,但氧化和还原能力不均衡,导致单层MoS_2作为光催化剂分解水的效率不高。通过Se掺杂计算发现,单层MoS_2的禁带宽度变为1.727 e V,相应的光吸收谱变化幅度几乎不变,且体系的形成能较低,表明其热力学稳定性良好。然而,导带底电位调整到H+/H2还原势之上0.253 e V,价带顶电位处于O2/H2O的氧化势之下0.244e V,平衡了氧化与还原能力,单层MoS_2可见光催化分解水的效率得到提高。
