Search Results (22)

Germanium/tin-containing silicon oxide [SiO–(GeO/SnO)] nanoclusters have been designed with different Si/Ge/Sn particles and characterized as electrodes for magnesium-ion batteries (MIBs) due to forming MgBe [SiO–GeO], MgBe [SiO–SnO], MgCa [SiO–GeO], and MgCa [SiO–SnO] complexes. In this work, alkaline earth metals of magnesium (Mg), beryllium (Be), and calcium (Ca) have been studied in hybrid Mg-, Be-, and Ca-ion batteries. An expanded investigation on H capture by MgBe [SiO–(GeO/SnO)] or MgCa [SiO–(GeO/SnO)] complexes was probed using computational approaches due to density state analysis of charge density differences (CDD), total density of states (TDOS), and electron localization function (ELF) for hydrogenated hybrid clusters of MgBe [SiO–GeO], MgBe [SiO–SnO], MgCa [SiO–GeO], and MgCa [SiO–SnO]. Replacing Si by Ge/Sn content can increase battery capacity through MgBe [SiO–GeO], MgBe [SiO–SnO], MgCa [SiO–GeO], and MgCa [SiO–SnO] nanoclusters for hydrogen adsorption processes and could improve the rate performances by enhancing electrical conductivity. A small portion of Mg, Be, or Ca entering the Si–Ge or Si–Sn layer to replace the alkaline earth metal sites could improve the structural stability of the electrode material at high multiplicity, thereby improving the capacity retention rate. In fact, the MgBe [SiO–GeO] remarks a small enhancement in charge transfer before and after hydrogen adsorption, confirming the good structural stability. In addition, [SiO–(GeO/SnO)] anode material could augment the capacity owing to higher surface capacitive impacts. Full article

Perovksite solar cells have emerged as a promising photovoltaic technology due to their high increasing power conversion efficiency (PCE). However, challenges related to thermal instability and material toxicity, especially in lead-based perovskites, bring the need to investigate alternative materials and structural designs. This study investigated the current–voltage and power–voltage characteristics of lead-free PSCs based on tin- and germanium using a two-diode equivalent circuit model. The novelty of this work was based on the intensive evaluation of three different electron transport layers (ETLs)—titanium dioxide (TiO₂), zinc oxide (ZnO), and tungsten trioxide (WO₃)—under different ambient temperature conditions (5 °C, 25 °C, and 55 °C) to study their impacts on device performance and the thermal stability. SCAPS-1D simulations were used to model the electrical and optical behaviors of the proposed perovskite structures, and the results were validated by using the two-diode model. The main performance parameters that were considered were open-circuit voltage, short-circuit current, maximum power point, and fill factor. The results showed that TiO₂ was better than ZnO and WO₃ as an ETL, achieving a PCE of 24.83% for Sn-based perovskites, and ZnO was the better choice for Ge-based perovskites at 25 °C, with an efficiency reaching ~15.39%. The three ETL materials showed high thermal stability when analyzing them at high ambient temperatures reaching 55 °C. Full article

This study focuses on the development of efficient and environmentally friendly Lead-free Perovskite solar cells (PSCs) using Tin and Germanium as absorber materials. The study was performed using SCAPS-1D simulations (version 3.11) to explore the performance of PSCs. The investigation took into consideration optimizing the electron transport layer’s (ETL) material and thickness, and TiO₂, ZnO, and WO₃ were investigated for this purpose. The current results show that Sn-based PSCs achieved a maximum power conversion efficiency of 23.19% with TiO₂ as the ETL, while Ge-based PSCs reached a power conversion efficiency of 14.83%. Additionally, the ETL doping concentration optimization revealed that the doping concentration had little impact on the device performance. These results emphasize the potential of Sn- and Ge-based PSCs as sustainable alternatives to Lead-based technologies, offering a pathway toward safer and more efficient solar energy solutions. Full article

Carbon (C) is an important isovalent impurity in silicon (Si) that is inadvertently added in the lattice during growth. Germanium (Ge), tin (Sn), and lead (Pb) are isovalent atoms that are added in Si to improve its radiation hardness, which is important for microelectronics in space or radiation environments and near reactors or medical devices. In this work, we have employed density functional theory (DFT) calculations to study the structure and energetics of carbon substitutional-isovalent dopant substitutional C_sD_s (i.e., C_sGe_s, C_sSn_s and C_sPb_s) and carbon interstitial-isovalent dopant substitutional C_iD_s (i.e., C_iGe_s, C_iSn_s and C_iPb_s) defect pairs in Si. All these defect pairs are predicted to be bound with the larger isovalent atoms, forming stronger pairs with the carbon atoms. It is calculated that the larger the dopant, the more stable the defect pair, whereas the C_sD_s defects are more bound than the C_iD_s defects. Full article

Planar tetracoordinate silicon, germanium, tin, and lead (ptSi/Ge/Sn/Pb) species are scarce and exotic. Here, we report a series of penta-atomic ptSi/Ge/Sn/Pb XB₂Bi₂ (X = Si, Ge, Sn, Pb) clusters with 20 valence electrons (VEs). Ternary XB₂Bi₂ (X = Si, Ge, Sn, Pb) clusters possess beautiful fan-shaped structures, with a Bi–B–B–Bi chain surrounding the central X core. The unbiased density functional theory (DFT) searches and high-level CCSD(T) calculations reveal that these ptSi/Ge/Sn/Pb species are the global minima on their potential energy surfaces. Born–Oppenheimer molecular dynamics (BOMD) simulations indicate that XB₂Bi₂ (X = Si, Ge, Sn, Pb) clusters are robust. Bonding analyses indicate that 20 VEs are perfect for the ptX XB₂Bi₂ (X = Si, Ge, Sn, Pb): two lone pairs of Bi atoms; one 5c–2e π, and three σ bonds (two Bi–X 2c–2e and one B–X–B 3c–2e bonds) between the ligands and X atom; three 2c–2e σ bonds and one delocalized 4c–2e π bond between the ligands. The ptSi/Ge/Sn/Pb XB₂Bi₂ (X = Si, Ge, Sn, Pb) clusters possess 2π/2σ double aromaticity, according to the (4n + 2) Hückel rule. Full article

This research aims to optimize the efficiency of the device structures by introducing the novel double perovskite absorber layer (PAL). The perovskite solar cell (PSC) has higher efficiency with both lead perovskite (PVK), i.e., methylammonium tin iodide (MASnI₃) and Caseium tin germanium iodide (CsSnGeI₃). The current simulation uses Spiro-OMeTAD as the hole transport layer (HTL) and TiO₂ as an electron transport layer (ETL) to sandwich the PVK layers of MASnI₃ and CsSnGeI₃, which have precise bandgaps of 1.3 eV and 1.5 eV. The exclusive results of the precise modeling technique for organic/inorganic PVK-based photovoltaic solar cells under the illumination of AM1.5 for distinctive device architectures are shown in the present work. Influence of defect density (DD) is also considered during simulation that revealed the best PSC parameters with J_SC of 31.41 mA/cm², V_OC of 1.215 V, FF of nearly 82.62% and the highest efficiency of 31.53% at the combined DD of 1.0 × 10¹⁴ cm⁻³. The influence of temperature on device performance, which showed a reduction in PV parameters at elevated temperature, is also evaluated. A steeper temperature gradient with an average efficiency of −0.0265%/K for the optimized PSC is observed. The novel grading technique helps in achieving efficiency of more than 31% for the optimized device. As a result of the detailed examination of the total DD and temperature dependency of the simulated device, structures are also studied simultaneously. Full article

One-dimensional (nanotubes) and two-dimensional (nanosheets) germanium carbide (GeC) and tin carbide (SnC) structures have been predicted and studied only theoretically. Understanding their mechanical behaviour is crucial, considering forthcoming prospects, especially in batteries and fuel cells. Within this framework, the present study aims at the numerical evaluation of the elastic properties, surface Young’s and shear moduli and Poisson’s ratio, of GeC and SnC nanosheets and nanotubes, using a nanoscale continuum modelling approach. A robust methodology to assess the elastic constants of the GeC and SnC nanotubes without of the need for numerical simulation is proposed. The surface Young’s and shear moduli of the GeC and SnC nanotubes and nanosheets are compared with those of their three-dimensional counterparts, to take full advantage of 1D and 2D germanium carbide and tin carbide in novel devices. The obtained outcomes establish a solid basis for future explorations of the mechanical behaviour of 1D and 2D GeC and SnC nanostructures, where the scarcity of studies is evident. Full article

As one of the important probes of chemical bonding, planar tetracoordinate carbon (ptC) compounds have been receiving much attention. Compared with ptC clusters, the heavier planar tetracoordinate silicon, germanium, tin, lead (ptSi/Ge/Sn/Pb) systems are scarcer and more exotic. The 18-valence-electron (ve)-counting is one important guide, though not the only rule, for the design of planar tetra-, penta-coordinate carbon and silicon clusters. The 18ve ptSi/Ge system is very scarce and needs to be expanded. Based on the isoelectronic principle and bonding similarity between the Al atom and the BeH unit, inspired by the previously reported ptSi global minimum (GM) SiAl₄²⁻, a series of ternary 18 ve XBe4H5⁻ (X = Si, Ge, Sn, Pb) clusters were predicted with the ptSi/Ge/Sn/Pb centers. Extensive density functional theory (DFT) global minimum searches and high-level CCSD(T) calculations performed herein indicated that these ptSi/Ge/Sn/Pb XBe₄H₅⁻ (X = Si, Ge, Sn, Pb) clusters were all true GMs on their potential energy surfaces. These GMs of XBe₄H₅⁻ (X = Si, Ge, Sn, Pb) species possessed the beautiful fan-shaped structures: XBe₄ unit can be stabilized by three peripheries bridging H and two terminal H atoms. It should be noted that XBe₄H₅⁻ (X = Si, Ge, Sn, Pb) were the first ternary 18 ve ptSi/Ge/Sn/Pb species. The natural bond orbital (NBO), canonical molecular orbitals (CMOs) and adaptive natural densitpartitioning (AdNDP) analyses indicated that 18ve are ideal for these ptX clusters: delocalized one π and three σ bonds for the XBe₄ core, three Be-H-Be 3c-2e and two Be-H σ bonds for the periphery. Additionally, 2π plus 6σ double aromaticity was found to be crucial for the stability of the ptX XBe₄H₅⁻ (X = Si, Ge, Sn, Pb) clusters. The simulated photoelectron spectra of XBe₄H₅⁻ (X = Si, Ge, Sn, Pb) clusters will provide theoretical basis for further experimental characterization. Full article

This work demonstrates the possibility of electrochemical formation of Ge-Sn-O nanostructures from aqueous solutions containing germanium dioxide and tin (II) chloride at room temperature without prior deposition of fusible metal particles. This method does not require complex technological equipment, expensive and toxic germanium precursors, or binding additives. These advantages will make it possible to obtain such structures on an industrial scale (e.g., using roll-to-roll technology). The structural properties and composition of Ge-Sn-O nanostructures were studied by means of scanning electron microscopy and X-ray photoelectron spectroscopy. The samples obtained represent a filamentary structure with a diameter of about 10 nm. Electrochemical studies of Ge-Sn-O nanostructures were studied by cyclic voltammetry and galvanostatic cycling. Studies of the processes of lithium-ion insertion/extraction showed that the obtained structures have a practical discharge capacity at the first cycle ~625 mAh/g (specific capacity ca. 625 mAh/g). However, the discharge capacity by cycle 30 was no more than 40% of the initial capacity. The obtained results would benefit the further design of Ge-Sn-O nanostructures formed by simple electrochemical deposition. Full article

Germanium–tin nanoparticles are promising materials for near- and mid-infrared photonics thanks to their tunable optical properties and compatibility with silicon technology. This work proposes modifying the spark discharge method to produce Ge/Sn aerosol nanoparticles during the simultaneous erosion of germanium and tin electrodes. Since tin and germanium have a significant difference in the potential for electrical erosion, an electrical circuit damped for one period was developed to ensure the synthesis of Ge/Sn nanoparticles consisting of independent germanium and tin crystals of different sizes, with the ratio of the atomic fraction of tin to germanium varying from 0.08 ± 0.03 to 0.24 ± 0.07. We investigated the elemental and phase composition, size, morphology, and Raman and absorbance spectra of the nanoparticles synthesized under different inter-electrode gap voltages and the presence of additional thermal treatment directly in a gas flow at 750 °C. The research shows that the in-flow thermal treatment of aerosol-agglomerated nanoparticles produced special individual bicrystalline Janus Ge/Sn nanoparticles with an average size of 27 nm and a decreasing absorption function with a changing slope at 700 nm. Full article

A new type of perovskite solar cell based on mixed tin and germanium has the potential to achieve good power conversion efficiency and extreme air stability. However, improving its efficiency is crucial for practical application in solar cells. This paper presents a quantitative analysis of lead-free FA_0.75MA_0.25Sn_0.95Ge_0.05I₃ using a solar cell capacitance simulator to optimize its structure. Various electron transport layer materials were thoroughly investigated to enhance efficiency. The study considered the impact of energy level alignment between the absorber and electron transport layer interface, thickness and doping concentration of the electron transport layer, thickness and defect density of the absorber, and the rear metal work function. The optimized structures included poly (3,4-ethylenedioxythiophene)polystyrene sulfonate (PEDOT:PSS) as the hole transport layer and either zinc oxide (ZnO) or zinc magnesium oxide (Zn_0.7Mg_0.3O) as the electron transport layer. The power conversion efficiency obtained was 29%, which was over three times higher than the initial structure. Performing numerical simulations on FA_0.75MA_0.25Sn_0.95Ge_0.05I₃ can significantly enhance the likelihood of its commercialization. The optimized values resulting from the conducted parametric study are as follows: a short-circuit current density of 30.13 mA·cm⁻²), an open-circuit voltage of 1.08 V, a fill factor of 86.56%, and a power conversion efficiency of 28.31% for the intended solar cell. Full article

Germanium-tin (GeSn) alloy is considered a promising candidate for a Si-based short-wavelength infrared range (SWIR) detector and laser source due to its excellent carrier mobility and bandgap tunability. Pulsed laser annealing (PLA) is one of the preeminent methods for preparing GeSn crystal films with high Sn content. However, current reports have not systematically investigated the effect of different pulse-width lasers on the crystalline quality of GeSn films. In addition, the intensity of the spot follows the gaussian distribution. As a result, various regions would have different crystalline properties. Therefore, in this study, we first provide the Raman spectra of several feature regions in the ablation state for single spot processing with various pulse-width lasers (continuous-wave, nanosecond, femtosecond). Furthermore, the impact of laser pulse width on the crystallization characteristics of GeSn film is explored for different single-spot processing states, particularly the Sn content incorporated into GeSn crystals. The transient heating time of the film surface and the faster non-equilibrium transition of the surface temperature inhibit the segregation of the Sn component. By comparing the Raman spectra of the pulsed laser, the continuous-wave laser shows the most acute Sn segregation phenomenon, with the lowest Sn content of approximately 2%. However, the femtosecond laser both ensures crystallization of the film and effective suppression of Sn expulsion from the lattices, and the content of Sn is 8.07%, which is similar to the origin of GeSn film. Full article

In this review the latest advances in the field of nanostructured photodetectors are considered, stating the types and materials, and highlighting the features of operation. Special attention is paid to the group-IV material photodetectors, including Ge, Si, Sn, and their solid solutions. Among the various designs, photodetectors with quantum wells, quantum dots, and quantum wires are highlighted. Such nanostructures have a number of unique properties, that made them striking to scientists’ attention and device applications. Since silicon is the dominating semiconductor material in the electronic industry over the past decades, and as germanium and tin nanostructures are very compatible with silicon, the combination of these factors makes them the promising candidate to use in future technologies. Full article

Herein, we reported the simulation study of lead (Pb)-free all-perovskite tandem solar cells using SCAPS-1D. Tandem solar cells are comprised of two different cells which are known as the top cell and the bottom cell. We simulated tandem solar cells using methyl ammonium germanium iodide (MAGeI₃) as the top subcell absorber layer due to its wide band gap of 1.9 eV. Further, FA_0.75MA_0.25Sn_0.25Ge_0.5I₃ = FAMASnGeI₃ was used as the bottom subcell absorber layer due to its narrow band gap of 1.4 eV. The tandem solar cells were simulated with MAGeI₃ as the top cell and FAMASnGeI₃ as the bottom subcell using SCAPS-1D. Various electro-transport layers (ETLs) i.e., titanium dioxide, tin oxide, zinc oxide, tungsten trioxide, and zinc selenide, were used to examine the impact of ETL on the efficiency of tandem solar cells. The observations revealed that TiO₂ and ZnSe have more suitable band alignment and better charge-extraction/transfer properties. A reasonably improved efficiency of 23.18% and 22.4% have been achieved for TiO₂ and ZnSe layer-based tandem solar cells, respectively. Full article

Narrow-bandgap germanium–tin (GeSn) is employed to fabricate metal–semiconductor–metal (MSM) near-infrared photodetectors with low-dark currents and high responsivity. To reduce the dark current, the SiO₂ layer is inserted in between the metal and semiconductor to increase the barrier height, albeit at the expense of photocurrent reduction. To couple more incident light into the absorption layer to enhance the responsivity, the distributed Bragg reflectors (DBRs) are deposited at the bottom of the GeSn substrate while placing the anti-reflection layer on the surface of the absorption layer. With the interdigital electrode spacing and width, both set at 5 µm and with 1 V bias applied, it is found the responsivities of the generic MSM control sample detector, the MSM with DBR, and the MSM with AR layer are 0.644 A/W, 0.716 A/W, and 1.30 A/W, respectively. The corresponding specific detectivities are 8.77 × 10¹⁰, 1.11 × 10¹¹, and 1.77 × 10¹¹ cm·Hz^1/2/W, respectively. The measurement data show that these designs effectively enhance the photocurrent and responsivity. At 1 V bias voltage, normalized responsivity evinces that the photodetection range has been extended from 1550 nm to over 2000 nm, covering the entire telecommunication band. Incorporating GeSn as a sensing layer offers one of the new alternative avenues for IR photodetection. Full article