In the present study, Density Functional Theory (DFT) was employed to computationally investigate potential application of newly developed lead-free perovskites with formula TlSnX

Abstract This study aims to explore for the first time mechanical, electronic, optical and thermoelectric properties of cubic lead-free perovskites InSnBr 3 InSnI investigate their potential applications in solar cell devices. Additionally, previously examined InSnCl perovskite is also included. The were determined using first-principles calculation based on well-known Density Functional Theory (DFT) with Generalized Gradient Approximation (GGA) functional implemented Quantum Espresso...

Abstract The present study examines the key characteristics of new vacancy-ordered halide double perovskites, RbKGeCl 6 and RbKGeBr , encompassing elastic, structural, mechanical, optoelectronic, thermoelectric properties. Density Functional Theory (DFT) was employed to perform calculation properties, facilitating evaluation their potential applications in optoelectronic devices. DFT conducted using Quantum Espresso package alongside thermo_pw tool BoltzTraP codes. results revealed that two...

Abstract Studies on bio-organic materials for optoelectronic devices have increased recently, mainly due to the low cost of materials. Electrical properties are important review whether a material is suitable applications. The energy gap an parameter investigate electrical materials, and therefore, band value has be determined accurately. semiconductor can calculated from its absorption spectrum using Tauc plot method. In this article, we designed software based method (Taucplot4dotz) ran...

The ABX3 perovskite materials have recently emerged as one of the most promising for optoelectronic applications. In present study, novel perovskites in form InZnCl3 and InCdCl3 are computationally investigated to determine their key characteristics, including structural, mechanical, electronic, optical characteristics. These characteristics were evaluated using density functional theory (DFT) implemented quantum espresso code. results indicated that both exhibit chemical, dynamic,...

This study aims at comprehensively evaluating and comparing the goodness-of-fit of several potential energy curves (PECs), which are Morse, Manning-Rosen, Rosen-Morse Modified-Rosen-Morse oscillators, to corresponding experimental Rydberg-Klein-Rees (RKR) or RKR-style data diatomic molecules. In this work, we also determined vibrational energies diatomics based on Bohr-Sommerfeld quantization rule. The RKR 34 electronic states 17 accuracy calculated were compared for four oscillators...

This study aims to apply the matrix method determine energy of anharmonic oscillators containing linear, quadratic, cubic, quartic, quintic, sextic, septic, octic, nonic, and decic anharmonicities. Energy calculations were performed analytically using with a size 4×4. The carried out by finding Hamiltonian representation oscillators, which was then solved time-independent Schrödinger equation. As comparison, computational also conducted Wolfram Mathematica for large sizes. Results small...

Abstract This study investigates the structural parameters and electronic properties of cubic TlGeCl x Br 3-x (x=0,1,2,3) lead-free perovskites to evaluate their potential as absorbers in perovskite solar cell devices. Density Functional Theory (DFT) embedded Quantum Espresso code was used calculate these properties. The results revealed that compounds have optimized lattice constants 5.244 Å, 5.336 5.416 5.501 for 3 , 2 Br, TlGeClBr TlGeBr perovskites, respectively. In addition, are direct...

This study aims to apply a semi-classical approach using some analytically solvable potential functions accurately compute the first ten pure vibrational energies of molecular hydrogen (H2) and its isotopes in their ground electronic states. also at comparing accuracy within framework approximation. The performance approximation was investigated as function mass. In this approximation, nuclei were assumed move classical potential. Bohr-Sommerfeld quantization rule then applied calculate...

Views Icon Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Twitter Facebook Reddit LinkedIn Tools Reprints and Permissions Cite Search Site Citation Redi Kristian Pingak, Zakarias S. Ngara, Albert Zicko Johannes, Minsyahril Bukit; Energy eigenvalues of the Morse oscillator using matrix mechanics based on harmonic basis states. AIP Conference Proceedings 25 January 2023; 2554 (1): 050005. https://doi.org/10.1063/5.0103842 Download citation file: Ris (Zotero)...

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 Briket bioarang merupakan salah satu bahan bakar yang berasal dari biomassa. Biomassa digunakan dalam penelitian ini adalah tempurung kelapa dan sekam padi. Penelitian bertujuan untuk mengetahui pengaruh variasi komposisi padi perekat terhadap parameter fisis briket kelapa. Hasil menunjukkan nilai densitas, kadar air, porositas abu, secara berturut-turut berkisar antara (0.69 - 1.12 ), (3,33% 7,57%.), (16,66% 31,88%.), (38,46% 66,66%.). Analisis bahwa umum, berbanding terbalik...

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 Telah dilakukan penelitian tentang kajian awal sifat optik Graphene Oxide berbahan dasar arang tongkol jagung yang disintesis dengan metode Liquid Phase Exfoliation (LPE). Penelitian ini bertujuan mengetahui pengaruh variasi massa karbon 1 gram; 1,5 2 gram, perlakuan blender, ultrasonikasi, dan blender + ultrasonikasi terhadap nilai absorbansi UV-Vis hasil sintesis. Karbon dibakar dihaluskan sampai menjadi serbuk, bantuan ultrasonifikasi selama 3 jam, didiamkan satu malam,...

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This study aims at implementing a truncated matrix approach based on harmonic oscillator eigenfunctions to calculate energy eigenvalues of anharmonic oscillators containing quadratic, quartic, sextic, octic, and decic anharmonicities. The accuracy the method is also tested. Using this method, wave functions were written as linear combination some finite number basis states. Results showed that calculation with 100 states generated accurate energies relatively small coupling constants,...

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 Silika memiliki banyak aplikasi sehingga penelitian tentang sintesis silika dari bahan alam yang praktis dan murah sangat penting untuk dilakukan. Dari warnanya, pasir Tablolong Koka adalah dua di NTT diduga mengandung dengan kemurnian cukup tinggi. Tujuan ini mengetahui kandungan awal dalam potensi kedua sebagai penghasil Sampel dambil dibersihkan, dicuci akuades, kemudian dikeringkan pada suhu 150 0C selama 8 jam menghilangkan kadar airnya. dihaluskan menggunakan mortar 30...

The approximate solution to the Schrödinger equation of exotic doubly muonic helium-like systems has been obtained using a simple matrix method based on hydrogenic s-states. Each system considered consists positively charged nucleus surrounded by 2 negatively muons XZ+μ-μ- (2 Z 36). present work aims obtain ground-state energies and decompose in terms basis states used. Here, wave function was expressed as linear combination 15 eigenfunctions, each written product two elements Hamiltonian...