Recent advances in green carbon dots (2015–2022): synthesis, metal ion sensing, and biological applications

• Aisha Kanwal,
• Naheed Bibi,
• Sajjad Hyder,
• Arif Muhammad,
• Hao Ren,
• Jiangtao Liu and
• Zhongli Lei

Beilstein J. Nanotechnol. 2022, 13, 1068–1107, doi:10.3762/bjnano.13.93

• CDs, the solubility and QY can be improved. The size of CDs and chemical functionality present on their surface can be discreetly tuned to change the electronic structure for their luminous features. Various molecular precursors have been used earlier for the production of CDs, including ethylene

• to attract greater attention since it can produce novel electronic structures. The electronic structure of CDs can be modified to produce n-type or p-type carriers by adding atomic impurities, such as nitrogen, boron, sulfur, or phosphorus. The QY of CDs could also be considerably enhanced by

• the electronic structure of CDs, N,S-CDs have drawn more interest in recent years. Li et al. reported a simple and economical one-pot hydrothermal carbonization route to prepare N,S-CDs by using ginkgo leaves as a natural precursor. XPS results demonstrated that the reported CDs were having elemental

Spindle-like MIL101(Fe) decorated with Bi₂O₃ nanoparticles for enhanced degradation of chlortetracycline under visible-light irradiation

• Chen-chen Hao,
• Fang-yan Chen,
• Kun Bian,
• Yu-bin Tang and
• Wei-long Shi

Beilstein J. Nanotechnol. 2022, 13, 1038–1050, doi:10.3762/bjnano.13.91

• , respectively [41]. In recent years, artificial Z-scheme heterojunction catalysts have generated extensive interest since its special electronic structure not only promotes separation of electron–hole pairs but also remains with high redox capacity [42]. Therefore, the photocatalytic activity of MIL101(Fe) can

Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

• Dick Hartmann Douma,
• Lodvert Tchibota Poaty,
• Alessio Lamperti,
• Stéphane Kenmoe,
• Abdulrafiu Tunde Raji,
• Alberto Debernardi and
• Bernard M’Passi-Mabiala

Beilstein J. Nanotechnol. 2022, 13, 975–985, doi:10.3762/bjnano.13.85

• absorption spectrum near the ionization threshold of core electrons with orbital momentum l belonging to the absorbing atom [29]. It is sensitive to the electronic structure of the absorbing atom, since its intensity is nearly proportional to the density of the unoccupied states whose symmetry verifies the

• enable us to investigate the effect of disorder on the structures and electronic properties of Ni-doped zirconia. X-ray absorption near-edge structure (XANES) offers a deep insight into the electronic structure of materials as we shall show in the following sections. XANES calculation The XANES spectra

• in S1 and S2 may be responsible for the decrease in the pre-edge peaks with increasing concentration of oxygen vacancies. Conclusion Using the density functional theory approach and X-ray absorption near-edge spectroscopy, we study the electronic structure of zirconia containing two nickel dopant

Self-assembly of C₆₀ on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C₆₀ monolayer

• Guglielmo Albani,
• Michele Capra,
• Alessandro Lodesani,
• Alberto Calloni,
• Gianlorenzo Bussetti,
• Marco Finazzi,
• Franco Ciccacci,
• Alberto Brambilla,
• Lamberto Duò and
• Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

• layer of 2D material, such as graphene [27][28], hexagonal boron nitride [29][30][31] and MoS2 [32][33]. Moreover, an organic layer inserted between the substrate and the overlayer has been shown to be effective in improving the order of the molecular film [34][35] or restoring its original electronic

• structure [36][37][38]. In this paper, we investigate the effects induced by a ZnTPP buffer layer covering the Fe(001)–p(1 × 1)O surface on the electronic and structural properties of a C60 ultrathin film. The Fe(001)–p(1 × 1)O surface is characterized by a single layer of oxygen atoms, adsorbed in the

A nonenzymatic reduced graphene oxide-based nanosensor for parathion

• Sarani Sen,
• Anurag Roy,
• Ambarish Sanyal and
• Parukuttyamma Sujatha Devi

Beilstein J. Nanotechnol. 2022, 13, 730–744, doi:10.3762/bjnano.13.65

• , enhanced electron transport facility, excellent mechanical, thermal, and electrical stability [11][25][26][27]. The electronic structure and surface physicochemistry of graphene are beneficial for electron transfer. Several graphene-based nanocomposites based on complex synthesis processes are reported as

Sodium doping in brookite TiO₂ enhances its photocatalytic activity

• Boxiang Zhuang,
• Honglong Shi,
• Honglei Zhang and
• Zeqian Zhang

Beilstein J. Nanotechnol. 2022, 13, 599–609, doi:10.3762/bjnano.13.52

• brookite TiO2 changes with the preparing details is still unclear. The varied local structures of brookite can affect its electronic structure and hence its photocatalytic performance. Here, we report that Na-doped brookite NaxTi1−xO2 was synthesized by a hydrothermal reaction of tetrabutyl titanate

Tin dioxide nanomaterial-based photocatalysts for nitrogen oxide oxidation: a review

• Viet Van Pham,
• Hong-Huy Tran,
• Thao Kim Truong and
• Thi Minh Cao

Beilstein J. Nanotechnol. 2022, 13, 96–113, doi:10.3762/bjnano.13.7

• oxide (not to be confused with stannous oxide with tin in the oxidation state of 2+ [13], also known as cassiterite [14]. SnO2 materials have many interesting properties. For instance, the structure and electronic structure can be manipulated easily due to the highly tunable valence state and oxygen

Identifying diverse metal oxide nanomaterials with lethal effects on embryonic zebrafish using machine learning

• Richard Liam Marchese Robinson,
• Haralambos Sarimveis,
• Philip Doganis,
• Xiaodong Jia,
• Marianna Kotzabasaki,
• Christiana Gousiadou,
• Stacey Lynn Harper and
• Terry Wilkins

Beilstein J. Nanotechnol. 2021, 12, 1297–1325, doi:10.3762/bjnano.12.97

First-principles study of the structural, optoelectronic and thermophysical properties of the π-SnSe for thermoelectric applications

• Muhammad Atif Sattar,
• Najwa Al Bouzieh,
• Maamar Benkraouda and
• Noureddine Amrane

Beilstein J. Nanotechnol. 2021, 12, 1101–1114, doi:10.3762/bjnano.12.82

• parameter close to the experimental value, we investigated the electronic structure of π-SnSe. The density of states (DOS) plot for the π-SnSe calculated by the meta GGA-mBJ is presented in Figure 3. The upper valence band is majorly contributed by the p states of Se and Sn atoms with a small share of Sn s

• electronic structure and nature of the dominant charge carriers of an alloy. A high value of the Seebeck coefficient is needed for an excellent TE device. A variation of the Seebeck as a function of temperature is presented in Figure 9a. It can be observed that the Seebeck coefficient value at a lower

Molecular assemblies on surfaces: towards physical and electronic decoupling of organic molecules

• Sabine Maier and
• Meike Stöhr

Beilstein J. Nanotechnol. 2021, 12, 950–956, doi:10.3762/bjnano.12.71

• inertness and the low density of states near the Fermi level. However, the electronic decoupling efficiency also depends on the electronic structure of the 2D material. Sometimes, only molecular states in the bandgap of the 2D material can be decoupled. Moreover, ultrathin organic spacer layers can

Modification of a SERS-active Ag surface to promote adsorption of charged analytes: effect of Cu²⁺ ions

• Bahdan V. Ranishenka,
• Andrei Yu. Panarin,
• Irina A. Chelnokova,
• Sergei N. Terekhov,
• Peter Mojzes and
• Vadim V. Shmanai

Beilstein J. Nanotechnol. 2021, 12, 902–912, doi:10.3762/bjnano.12.67

• introduces new states in the electronic structure of the metal–adsorbate complex leading to an increase in the Raman scattering cross section of the analyte [17]. Consequently, the CE mechanism should be accompanied by a change of spectral properties of the analyte, which was not observed in this study. Thus

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

• analysis of these substrate effects can be found in [18]. Electrical and electronic properties The majority of defect engineering studies using the HIM have focused on tuning electrical conductivity. First work in this area concentrated on graphene, seeking to locally modulate its 2D electronic structure

Boosting of photocatalytic hydrogen evolution via chlorine doping of polymeric carbon nitride

• Malgorzata Aleksandrzak,
• Michalina Kijaczko,
• Wojciech Kukulka,
• Daria Baranowska,
• Martyna Baca,
• Beata Zielinska and
• Ewa Mijowska

Beilstein J. Nanotechnol. 2021, 12, 473–484, doi:10.3762/bjnano.12.38

• obtaining a highly efficient HER under visible light conditions [28][29]. One of the most effective methods to modify the electronic structure and improve photocatalytic properties, among so many options, seems to be non-metallic doping [30][31][32][33]. For instance, Ma et al. found that the doping of PCN

A review on nanostructured silver as a basic ingredient in medicine: physicochemical parameters and characterization

• Gabriel M. Misirli,
• Kishore Sridharan and
• Shirley M. P. Abrantes

Beilstein J. Nanotechnol. 2021, 12, 440–461, doi:10.3762/bjnano.12.36

• }, {100}, and possibly {110} exposed facets in AgNPs are different not only in the densities of the surface atoms, but also in their electronic structure, bonding, and chemical reactivity [34][35][36]. Figure 2 depicts these surfaces (facets) more clearly. Agnihotri et al. studied the bactericidal

• complementary way, the size, distribution, shape heterogeneity, morphology, dispersion, and aggregation can be directly evaluated via TEM in which the high spatial resolution facilitates the investigation of the electronic structure and chemical composition [156]. However, the disadvantages other than the

Reconstruction of a 2D layer of KBr on Ir(111) and electromechanical alteration by graphene

• Zhao Liu,
• Antoine Hinaut,
• Stefan Peeters,
• Sebastian Scherb,
• Ernst Meyer,
• Maria Clelia Righi and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2021, 12, 432–439, doi:10.3762/bjnano.12.35

• electronic charge of the corresponding atom. Therefore, to perform the Bader charge analysis, one needs the whole charge-density grid based on the optimized electronic structure. To calculate the work functions of the KBr layer adsorbed on Ir, we created a symmetric system, in which both the top and the

Free and partially encapsulated manganese ferrite nanoparticles in multiwall carbon nanotubes

• Saja Al-Khabouri,
• Salim Al-Harthi,
• Toru Maekawa,
• Mohamed E. Elzain,
• Ashraf Al-Hinai,
• Ahmed D. Al-Rawas,
• Abbsher M. Gismelseed,
• Ali A. Yousif and
• Myo Tay Zar Myint

Beilstein J. Nanotechnol. 2020, 11, 1891–1904, doi:10.3762/bjnano.11.170

• perpendicular to the graphene plane positioned at 3.1 eV (sp2-hybridized carbon network) [34]. These features can be clearly seen in Figure 6. A work function identification of MnFe2O4/MWCNTs is needed to better understand the electronic structure and the interaction between MWCNTs and MnFe2O4 at the interface

• . Although it is anticipated that encapsulation will cause some changes in the electronic structure in the vicinity of the particles inside the tubes, if all MnFe2O4 particles are encapsulated, the outer layers of MWCNTs will be unaffected. As a result, it would be expected that the UPS spectrum of coated

Nanocasting synthesis of BiFeO₃ nanoparticles with enhanced visible-light photocatalytic activity

• Thomas Cadenbach,
• Maria J. Benitez,
• A. Lucia Morales,
• Cesar Costa Vera,
• Luis Lascano,
• Francisco Quiroz,
• Alexis Debut and
• Karla Vizuete

Beilstein J. Nanotechnol. 2020, 11, 1822–1833, doi:10.3762/bjnano.11.164

• to point out that a comparison of bandgap values with different BiFeO3 samples is very difficult as particle shape, size, phase purity, as well as oxygen vacancies have a strong impact on the electronic structure of the resulting material. Photocatalytic activity The photocatalytic activity of all

Self-standing heterostructured NiC_x-NiFe-NC/biochar as a highly efficient cathode for lithium–oxygen batteries

• Shengyu Jing,
• Xu Gong,
• Shan Ji,
• Linhui Jia,
• Bruno G. Pollet,
• Sheng Yan and
• Huagen Liang

Beilstein J. Nanotechnol. 2020, 11, 1809–1821, doi:10.3762/bjnano.11.163

• ORR and OER [29][30][31][32]. Many metal carbides encapsulated in N-doped graphitic carbons have been developed and have attracted much research interest due to the Pt-like electronic structure and high catalytic activity towards ORR and OER [33]. FeC, Co3C, WC, and Mo2C (MC) wrapped or supported by N

The influence of an interfacial hBN layer on the fluorescence of an organic molecule

• Christine Brülke,
• Oliver Bauer and
• Moritz M. Sokolowski

Beilstein J. Nanotechnol. 2020, 11, 1663–1684, doi:10.3762/bjnano.11.149

• ]. This again points to a difference in the bonding character on the two surfaces. Several studies have probed the influence of the adsorption on metal-supported hBN layers on the electronic structure of large organic molecules, namely their frontier orbitals, by PES [36] or STS [37][38]. However, to the

Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization

• Jari Järvi,
• Patrick Rinke and
• Milica Todorović

Beilstein J. Nanotechnol. 2020, 11, 1577–1589, doi:10.3762/bjnano.11.140

• properties, and ultimately allow us to tune the functionality of advanced materials. Keywords: Bayesian optimization; camphor; Cu(111); density-functional theory; electronic structure; organic surface adsorbates; physical chemistry; structure search; surface science; Introduction Current frontier

• estimate the mobility of the adsorbates from the energy barriers extracted from the surrogate PES and analyze the electronic structure of each adsorbate. Our results provide insight into the adsorption of complex organic molecules on metallic substrates and pave the way to more complex studies of hybrid

• after releasing them in the relaxation. For this, we calculate the average root-mean-square deviation of the atomic positions and the mean deviation of bond lengths, comparing the structures before and after the relaxation. We furthermore investigate the electronic structure of the stable adsorbates by

Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)

• Feifei Xiang,
• Tobias Schmitt,
• Marco Raschmann and
• M. Alexander Schneider

Beilstein J. Nanotechnol. 2020, 11, 1516–1524, doi:10.3762/bjnano.11.134

• different molecular conformations. We interpret these findings as a demonstration that the oxide effectively decouples the molecules from the metal substrate and that their electronic structure remains almost undisturbed when adsorbing on the CoO films. Certainly, due to the neglect of spin and correlation

Self-assembly and spectroscopic fingerprints of photoactive pyrenyl tectons on hBN/Cu(111)

• Domenik M. Zimmermann,
• Knud Seufert,
• Luka Ðorđević,
• Tobias Hoh,
• Sushobhan Joshi,
• Tomas Marangoni,
• Davide Bonifazi and
• Willi Auwärter

Beilstein J. Nanotechnol. 2020, 11, 1470–1483, doi:10.3762/bjnano.11.130

• -like-disubstituted derivatives governed the self-assembly of the pyrenyl core on the nanostructured hBN support, affording dense-packed arrays and intricate porous networks featuring a kagome lattice. Keywords: electronic structure; hexagonal boron nitride; optical properties; pyrene; self-assembly

• at the submolecular level via STM and STS, e.g., reveal to be close to the gas-phase-like frontier orbitals. The electronic landscape of the hBN/Cu(111) template induces a periodic modulation of the electronic structure of the pyrene films at the single digit nanometer scale. The on-surface STM/STS

• a modulation of the molecular electronic structure imposed by the electronically corrugated hBN/Cu(111) support, as discussed in detail below [18][28][37][38]. The high-resolution STM data in Figure 2b gives a closer look at the intramolecular features. Along with the pyrene core, imaged as a large

Impact of fluorination on interface energetics and growth of pentacene on Ag(111)

• Qi Wang,
• Meng-Ting Chen,
• Antoni Franco-Cañellas,
• Bin Shen,
• Thomas Geiger,
• Holger F. Bettinger,
• Frank Schreiber,
• Ingo Salzmann,
• Alexander Gerlach and
• Steffen Duhm

Beilstein J. Nanotechnol. 2020, 11, 1361–1370, doi:10.3762/bjnano.11.120

• alignment was investigated by UPS. Furthermore, we compared the adsorption behavior of F4PEN on Ag(111) with that of PEN and PFP on the same substrate to understand the influence of fluorine substitution on the interfacial electronic structure of prototypical pentacene derivatives at organic–metal

• the observed identical HOMO level position in all three monolayers. For an in-depth discussion of the multilayer electronic structure, for which the valence electron spectra were strikingly different (Figure 3a), knowledge about the morphology and the molecular orientation was indispensable [91][92

• multilayers on Ag(111). Our results highlight that even for weak organic–metal interaction, the fluorine substitution significantly affects the organic thin film growth beyond the first layer as well as the multilayer electronic structure. Experimental F4PEN was synthesized following an established procedure

Atomic defect classification of the H–Si(100) surface through multi-mode scanning probe microscopy

• Jeremiah Croshaw,
• Thomas Dienel,
• Taleana Huff and
• Robert Wolkow

Beilstein J. Nanotechnol. 2020, 11, 1346–1360, doi:10.3762/bjnano.11.119

• formed reducing the area available for patterning. By probing the surface using the different interactivity afforded by either hydrogen- or silicon-terminated tips, we are able to extract new insights regarding the atomic and electronic structure of these defects. This allows for the confirmation of

Structural and electronic properties of SnO₂ doped with non-metal elements

• Jianyuan Yu,
• Yingeng Wang,
• Yan Huang,
• Xiuwen Wang,
• Jing Guo,
• Jingkai Yang and
• Hongli Zhao

Beilstein J. Nanotechnol. 2020, 11, 1321–1328, doi:10.3762/bjnano.11.116

• SnO2; electronic structure; optical properties; Introduction Thin film solar cells are devices that convert solar energy into electrical energy. Transparent conductive films (TCFs) are a thin film material with both conductive capabilities and high transmittance in the visible light range (300–800 nm

• dope SnO2. The calculations were carried out with the CASTEP software. In this paper, density functional theory (DFT) is used to analyze electronic structure and optical properties of SnO2 doped with non-metal elements. Crystal Structure Model and Calculation Method The SnO2 crystal has a tetragonal

• study the effect of non-metal element doping on the structure of SnO2, N, C, B, F, or S was used to replace one O atom in the supercell. The model diagram of doped SnO2 is shown in Figure 1. The crystal structure optimization and electronic structure of the doped SnO2 cell were obtained through the