Wen Qin,Shasha Guo,Zixi Liu et al.
Wen Qin et al.
Taking MoS2 as a prototypical example, our thermodynamics and kinetics calculations indicate that Co, Ni, Rh, Pd, and Pt atoms can be enticed by the progressive formation of mirror twin boundaries to yield robust SMACs; whereas other transition metal elements tend to result in either substitutional doping
Investigating the Electronic and Molecular Adsorption Properties of Ti/Co-Doped Boron Carbon Nitride [0.03%]
研究Ti/Co掺杂硼碳氮化物的电子及分子吸附性能
Nada M Alghamdi,Hind M Al-Qahtani,Amal Alkhaldi et al.
Nada M Alghamdi et al.
In the frame of density functional theory, we discuss the structural, electronic, and magnetic properties of mono Ti-doped and Co-doped BC6N (Ti/Co-BC6N) at different sites of substitutional doping (Ti/Co) in the BC6N monolayer....The mono substitutional doping at the B (TiB/CoB), N (TiN/CoN), and two different C (C1 (TiC1/CoC1), C2 (TiC2/CoC2)) sites, are investigated.
Nucleation-Controlled Doping of II-VI Semiconductor Nanocrystals Mediated by Magic-Sized Clusters [0.03%]
受控于成核的基于魔尺寸团簇介导的Ⅱ-Ⅵ族半导体纳米晶掺杂
Seunghyun Ji,Hafiz Ghulam Abbas,Seo Young Kim et al.
Seunghyun Ji et al.
Substitutional doping of magic-sized clusters with Mn2+ ions leads to successful substitutional doping of the final 2D nanocrystals.
High Conductivity and Thermoelectric Power Factor in p-Type MoS2 Nanosheets [0.03%]
p型二硫化钼纳米片中的高电导率和热电功率因子
Inés Durán,Carlos Bueno-Blanco,Jorge Rodríguez-Muro et al.
Inés Durán et al.
Here, we investigate the influence of controlled substitutional doping on the electrical conductivity and thermoelectric performance of MoS2 as a function of crystal thickness.
Zviadi Zarkua,Ahmed Samir Lotfy,Zeno Maesen et al.
Zviadi Zarkua et al.
Although ultralow energy (ULE) ion implantation is an effective method for substitutional doping of graphene with transition metals, it generally results in substantial nonsubstitutional incorporation, such as atoms intercalated between the graphene layer and the substrate or incorporated in the substrate
Tianyi Cao,Xiao-Lei Shi,Boxuan Hu et al.
Tianyi Cao et al.
In substitutional doping at the Ag cation sites increases the charge density distribution of Ag2Se, improving electrical conductivity, while maintaining a high Seebeck coefficient and relatively low thermal conductivity.
Correction: Interstitial and substitutional doping of Mn2+ in 2D PEA2PbBr4 and BA2PbBr4 perovskites [0.03%]
校正：二维PEA2PbBr4和BA2PbBr4钙钛矿中Mn2+的间隙掺杂和替位掺杂
Udara M Kuruppu,Alvaro J Magdaleno,Anuraj S Kshirsagar et al.
Udara M Kuruppu et al.
Correction for 'Interstitial and substitutional doping of Mn2+ in 2D PEA2PbBr4 and BA2PbBr4 perovskites' by Udara M. Kuruppu et al., Chem. Commun., 2024, 60, 14960-14963, https://doi.org/10.1039/D4CC04074K.
Published Erratum
Chemical communications (Cambridge, England). 2025 Feb 27. DOI:10.1039/d5cc90077h 2025
Tuning the Electronic and Optical Properties of Crystalline Anthracene by Doping and Pressure for Photovoltaic Applications [0.03%]
通过掺杂和压力调节结晶菲的电子及光学性能用于光伏应用中
Congqing Yang,Xuan Luo
Congqing Yang
Here we employ density functional theory to show that the combination of substitutional doping and hydrostatic pressure can effectively tune the structural, electronic, and optical properties of crystalline anthracene.
Regulating Chemical Bonds in Halide Frameworks for Lithium Superionic Conductors [0.03%]
通过调节卤化物框架中的化学键来开发优异的室温含锂超离子导体材料研究
Hailun Jin,Jiuwei Lei,Fiaz Hussain et al.
Hailun Jin et al.
In this study, we extend the concept of substitutional doping to explore its effects on chemical bond modulation and the resulting impact on ionic conduction in halide SSEs.
Theoretical Investigations on the n-Type and p-Type Conductivity Mechanisms in BiTaO4 Photocatalysts through Intrinsic Point Defects and Group IIA and Group VIB Element Doping [0.03%]
基于本征点缺陷及IIA和VIB族元素掺杂的BiTaO4光催化剂n-型和p-型导电机制理论研究
HongChun Zheng,Song Ling,Bo Kong et al.
HongChun Zheng et al.
Moreover, the intrinsic p-type conductivity can be further strengthened via the introductions of the substitutional doping of MBi (M = Mg, Ca, Sr, and Ba) under the Bi-poor, Ta-poor, and O-rich conditions, where the O vacancies should be induced and Sr is the best candidate.
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