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Understanding the role of rare-earth metal doping on the electronic structure and optical characteristics of ZnO

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Exploring the physical properties of the new MoX6 (X = Cl or Br) materials

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A first principles study of RbSnCl3 perovskite toward NH3, SO2, and NO gas sensing

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RbNbX₃ (X = cl, Br, I) lead-free halide perovskites: A DFT study of structural, elastic, electronic, and thermoelectric properties for energy applications

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Pressure-induced DFT evaluation of MSnI3 (M = K, Rb) perovskites for electronic phase transition and enhanced optoelectronic utilization

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Effect of metal (Cr, Sr, Ag, Cu) doping on the performance of lead-free RbSnI3 based perovskite solar cells: A theoretical approach

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Structural, optoelectronic and thermoelectric properties of the new perovskites LiMCl3 (M = Pb or Sn): a DFT study

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Study of mechanical, ferromagnetic, thermoelectric and thermo-dynamical stable ferrites CoY₂X₄ (X = S, Se): emerging candidates for energy conversion devices

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Re-designing lead-free halide perovskite RbSnF₃: structural and electronic band gap modifications induced by Indium doping using density functional theory

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High-efficiency InPbI3 perovskite solar cells: A multiscale approach from first-principles to machine learning

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Novel KSiCl3 and LiSiBr3 Lead-free Halide Perovskite for Photovoltaic and Photocatalytic Applications: A DFT-based Study

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Lead-free perovskites InSnX3(X = Cl, Br, I) for solar cell applications: a DFT study on the mechanical, optoelectronic, and thermoelectric properties

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First-principles investigation of structural, electronic, and optical properties of cubic halide perovskite RbSrI3

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Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications

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Crystal structure and optoelectronic properties of Rb-based metal halide perovskites RbSiI3 and RbGeI3: GGA–PBE study

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Pressure-Induced Band Gap Engineering of Nontoxic Lead-Free Halide Perovskite CsMgI3 for Optoelectronic Applications

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ACS Omega, 2023, 8, 24942
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Investigation of heavy thallium perovskites TlGeX (X = Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study

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Electronic, thermodynamical and thermoelectric performances of RbSnI3 halide perovskite for photovoltaic cell and UV absorber applications

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Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A = K, Rb and Fr)

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Polar-Solvent-Free Sonochemical Synthesis of Mn(II)-Doped CsPbCl3 Perovskite Nanocrystals for Dual-Color Emission

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Optical and conduction mechanism study of lead-free CsMnCl3 perovskite

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Theoretical investigations of double perovskite Rb2AgBiX6 (X = Cl, Br, I) for solar cell and photocatalysis applications

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Materials Science in Semiconductor Processing, 2024, 177, 108373
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Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X = O, S, Se and Te) perovskites

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Chemistry of Inorganic Materials, 2023, 1, 100007
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A Deep Analysis and Enhancing Photovoltaic Performance Above 31% with New Inorganic RbPbI3‐Based Perovskite Solar Cells via DFT and SCAPS‐1D

Md. Ferdous Rahman, Md. Harun‐Or‐Rashid, Md. Rasidul Islam, Ahmad Irfan, Aijaz Rasool Chaudhry, Md. Atikur Rahman and Samah Al‐Qaisi

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Theoretical investigation of elastic and optoelectronic properties of barium-based Halide perovskites KBaI3 and RbBaI3

Amel Meziani, Hocine Meradji and Sebti Ghemid

Phys. Scr., 2025, 100, 015990
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Electronic structures and properties of lead-free cesium- or rubidium-based perovskite halide compounds by first-principles calculations

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Nano Trends, 2023, 4, 100020
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Pressure-induced band gap engineering and enhanced optoelectronic properties of non-toxic Ca-based perovskite CsCaCl3: Insights from density functional theory

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Computational Condensed Matter, 2024, 38, e00879
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Exploring Sn-based vacancy-ordered halide double perovskites Na2Sn(Cl/Br)6 for optoelectronic, thermoelectric, and solar-driven hydrogen reduction applications

Zahid Khan, Abdul Manan, Naimat Ullah Khan, Hanan A. Althobaiti, Asif Nawaz Khan, Arshad Khan and Gang Liu

Chem. Pap., 2025, 79, 7657
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DFT investigation of structural, electronic, optical, mechanical, and thermoelectric properties of halide perovskites XZnCl3(X = Ag, Au, Cu)

Abdul Shakoor, Bakhtiar ul Haq, Sikander Azam, Fakhra Ghafoor, Muhammad Saqib, Muhammad Waqas, H.W. Seo and Muhammad Jawad

Physica B: Condensed Matter, 2025, 712, 417309
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Emission evolution from blue to Cs3Cu2Cl5-like green driven by the local copper environment in the CsCl lattice

Jae Ho Kim, Dohyung Lee, Seok Bin Kwon, Seung Hee Choi, Young Hyun Song, Se Hyun Park, Hyojeong Choi, Jung Hyeon Yoo, Wooseok Song and Dae Ho Yoon

Materials Today Chemistry, 2026, 54, 103630
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DFT insights into stress-induced impact on the fundamental properties of SnPbO3 cubic Perovskite oxides for advanced optoelectronic devices

M. I. Khan, M. Riaz, B. Ali, A. A. Algethami, H. T. Ali and M. S. U. Sahar

JOR, 2025, 21, 431
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Synthesis of Efficient and Stable Tetrabutylammonium Copper Halides with Dual Emissions for Warm White Light‐Emitting Diodes

Wen Meng, Chuying Wang, Yacong Li, Guangcai Hu, Shiqi Sui, Guangyong Xu, Min Peng and Zhengtao Deng

Chemistry A European J, 2023, 29
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Mesoporous structure of tin (Sn) based inorganic halide perovskite CsSnBr3 binary composite with PANI and rGO for energy storage as supercapacitor electrodes

Muhammad Riaz, Syed Mansoor Ali, Rajeh Alotaibi, Syed Danish Ali and Asif Mehmood

Inorganic Chemistry Communications, 2025, 176, 114338
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Lead-free bilayer perovskite solar cells with 29.72 % efficiency: Deep optoelectronic–photovoltaic insights via DFT and SCAPS-1D simulations

Neetika Yadav and Ayush Khare

Materials Science and Engineering: B, 2026, 324, 119044
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Pressure dependence of the structural and optoelectronic properties of Pb-free perovskites LiSnX3 (X = Br and Cl): A DFT approach

Mohammed Noor S. Rammoo, Hameed T. Abdulla, Bewar M. Ahmad, Nawzad A. Abdulkareem and Anand Pal

PLoS ONE, 2025, 20, e0313266
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Strain-Tunable Electronic and Optical Properties of KSnI3 Perovskite Polymorphs: From Structural Stability to Optoelectronic Potential

Aynur Ayvalik, Kadir Can Dogan, Zebih Cetin, Mehmet Yagmurcukardes and Humeyra Orucu

ACS Omega, 2026
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Theoretical insight into stabilities and optoelectronic properties of RbZnX3 (X=Cl, Br) halide perovskites for energy conversion applications

Naimat Ullah Khan, Usman Ghani, Arshad khan, Asif Nawaz Khan, Khadim Ullah, Roshan Ali and Mohammed M. Fadhali

Opt Quant Electron, 2025, 57
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Health and environmental risks in lead and lead-free halide perovskites

Juvet N. Fru, Vitalis C. Anye, Justine S. Nyarige and Pannan I. Kyesmen

Next Research, 2025, 2, 100309
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First principles investigation of dopants and defect complexes in CdSexTe1−x

Md Habibur Rahman, Srisuda Rojsatien, Dmitry Krasikov, Maria K.Y. Chan, Mariana Bertoni and Arun Mannodi-Kanakkithodi

Solar Energy Materials and Solar Cells, 2025, 293, 113857
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Hybrid advanced computational modeling of RbGeX3 solar cells with NZO/GO charge transport layers

Ghazi Aman Nowsherwan, Umar Farooq Ali, Saira Riaz and Shahzad Naseem

Solar Energy, 2025, 302, 114024
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A First‐Principles Study on ABBr3 (A = Cs, Rb, K, Na; B = Ge, Sn) Halide Perovskites for Photovoltaic Applications

Dibyajyoti Saikia, Mahfooz Alam, Jayanta Bera, Atanu Betal, Appala Naidu Gandi and Satyajit Sahu

Advcd Theory and Sims, 2022, 5
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Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of CaLiX3 (X = Cl, Br, and I) halide perovskites

Hatem Allaf, Missoum Radjai, Djamel Allali, Abdelmadjid Bouhemadou, Saber Saad Essaoud, Saad Bin-Omran, Rabah Khenata and Yarub Al-Douri

Computational Condensed Matter, 2023, 37, e00850
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Exploring the potential of inorganic cubic halide perovskites RbSrM3 (M=Cl, Br) for advanced optoelectronic applications: A DFT study

Muhammad Riaz, Syed Danish Ali, Maria Sadiq, Mubasher Ali and Syed Mansoor Ali

Chemical Physics, 2024, 577, 112141
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Defect modeling in semiconductors: the role of first principles simulations and machine learning

Md Habibur Rahman and Arun Mannodi-Kanakkithodi

J. Phys. Mater., 2025, 8, 022001
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Enhancing efficiency: A study on all-inorganic CsSnBr3 metal halide perovskites with micro-band offset using DFT and SCAPS-1D modeling

Shazia Akhtar Dar, Basharat Want and Brajendra Singh Sengar

Solar Energy, 2024, 284, 113051
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DFT insights into multifaceted properties of GaCaX3 (X = Cl, Br, I) inorganic cubic halide perovskites for advanced optoelectronic applications

Muhammad Riaz, Syed Mansoor Ali, N. Bano, Syed Danish Ali and Muhammad Asif Shakoori

Computational and Theoretical Chemistry, 2025, 1243, 114993
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High-throughput screening of ternary and quaternary chalcogenide semiconductors for photovoltaics

Md Habibur Rahman and Arun Mannodi-Kanakkithodi

Computational Materials Science, 2025, 249, 113654
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Insights into RbSrX3 (X = Cl, Br, I) halide perovskites: first-principles study on their potential for optoelectronic and thermoelectric applications

Tariq Usman, Sajid Khan, Muhammad Yar Khan, Javed Iqbal, Xiaojie Li, Salman Ali Khan and Abdul Hakim Shah

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Optical and electrical characteristics of perovskite solar cells incorporating MoO3 as an active layer

Himanshu Gehlot, Manu Faujdar, Sumit Pokhriyal, Narendra Khatri and Awanish K. Sharma

Opt. Lett., 2023, 48, 6456
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DFT calculations of optoelectronic and thermoelectric properties of K2NaTlX6 (X = Cl, Br, I) halide double perovskites for energy harvesting applications

Rabia Zafar, Shahzad Naseem, Saira Riaz, N A Noor, Asif Mahmood and Khuram Shahzad

Phys. Scr., 2023, 98, 115914
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Structure and Luminescent Properties of Tе(IV) Chloride Complex with p-Toluidine (HPT)3TeCl6·Cl

B. V. Bukvetskiy, T. V. Sedakova and A. G. Mirochnik

Russ. J. Inorg. Chem., 2025, 70, 1975
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Unveiling the thermoelectric, optical and mechanical performances of Hafnium and Zirconium based Beryllium oxide perovskite

Preeti Kumari, Vipul Srivastava, Ramesh Sharma, Navdeep Kaur and Hamid Ullah

Materials Today Communications, 2024, 40, 109571
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Design Insights and Photovoltaic Performance Analysis of Non-Lead Inorganic RbSnX3 (X = I, Br, Cl) Perovskites through Coupled Density Functional Theory and SCAPS-1D Simulation Frameworks

Babban Kumar Ravidas, Mukesh Kumar Roy and Dip Prakash Samajdar

ACS Appl. Electron. Mater., 2024, 6, 5126
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A (GGA+PBE) investigation of MGeBr3 (M = Rb, Cs, Fr) bromide perovskites: structural, electronic, and optical characteristics

O. Alsalmi and M. M. Saad H.-E.

DJNB, 2024, 19, 25
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First-Principles Study of Two-Dimensional A2SnI4 (A = MA, DMA, GUA) Ruddlesden–Popper Perovskites

Baseerat Bibi, Zahra Karimi, Syed Hatim Shah, Fan Shen, Najm Us Sama, Linlin Guan, Jingjing Zhang, Jiale Lin and Zhu Liu

Inorganics, 2026, 14, 73
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Physics‐Aware Hybrid Equivariant Graph Neural Networks for Robust Design of Inorganic Perovskite Photodetector

Shiyang Lei, Baoyi An, Guoqiang Peng, Xiangzheng Chen, Hao Jia and Zhiwen Jin

Advanced Optical Materials, 2026
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Methylammonium Tetrel Halide Perovskite Ion Pairs and Their Dimers: The Interplay between the Hydrogen-, Pnictogen- and Tetrel-Bonding Interactions

Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques and Koichi Yamashita

IJMS, 2023, 24, 10554
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First-principles Study of the Structural Properties of RbSnI2Br Perovskites Under Pressure

Xin Liu, Suyun Zhang, Pengcheng Deng, Haoning Li and Yifen Zhao

J. Phys.: Conf. Ser., 2023, 2564, 012058
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A comparative DFT study of CdKF3 and CdKCl3 halide perovskite materials for energy harvesting applications

Faisal Alresheedi, Rida Yasin, Sadia Nazir, N.A. Noor, A. Laref, Saira Riaz and Shahzad Naseem

Results in Physics, 2023, 55, 107137
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Optoelectronic and Thermoelectric Properties of Pb-Free Halide Inorganic Perovskites RbSnX3 (X = Cl, Br, I) for Solar Cell Applications—A DFT Study

Imane Laazizi, Boujemaa Jaber, Nejma Fazouan and Larbi Laanab

J Inorg Organomet Polym, 2024, 34, 5165
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Machine learning and SCAPS-1D based prediction and validation of RbGeBr3 perovskite solar cell

Namrata A. Tukadiya, Zarna D. Ponkiya, Nikunj Joshi, Deepak Upadhyay and Prafulla K. Jha

Solar Energy, 2025, 300, 113760
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Investigation of structural, electronic, elastic and optical properties of Ge-halide perovskites NaGeX3 (X = Cl, Br and I): A first-principles DFT study

Redi Kristian Pingak, Soukaina Bouhmaidi and Larbi Setti

Physica B: Condensed Matter, 2023, 663, 415003
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DFT-based study of structural, mechanical, electronic, thermodynamic, and optical properties of wide band gap RbSrX3(X=F, Cl, Br, I) Halides: Promising materials for optoelectronic applications

Tehreem Fatima, Abdul Waheed Anwar, Shafqat Nabi, Abid Ali, M. Basit Shakir, Shahid Ali, Umer Javed, Sumiya Shaheen and Sagheer Ahmad

Journal of Physics and Chemistry of Solids, 2026, 208, 113157
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First-principles calculations to investigate lead-free double perovskites CsInSbAgX6 (X = Cl, Br and I) for optoelectronic and thermoelectric applications

Soukaina Bouhmaidi, Amine Harbi, Redi Kristian Pingak, Abdelouahid Azouaoui, Mohammed Moutaabbid and Larbi Setti

Computational and Theoretical Chemistry, 2023, 1227, 114251
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Tailoring the physical properties of InSnX3 (X = F, Cl) perovskites via pressure: A path toward sustainable optoelectronics

Ovijit Das, Jahid Kabir Rony, Pallab Kumar Karmaker, Mst.A. Khatun, Md Murshidul Islam, M.H. Mia, Md Saiduzzaman and Minhajul Islam

Chemical Physics, 2025, 592, 112635
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Optoelectronic and thermoelectric properties of terbium-doped silicon carbide (Tb-SiC): a first-principles study for engineering new PC-LEDs

Asiya Zaman Khan, Shahid Ali, Habib Arshad, Salman Ahmad, Faisal Alresheedi and Muhammad Asif Hasham

Opt Quant Electron, 2026, 58
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Pressure induced variations in the optoelectronic response of ASnX3 (A=K, Rb; X=Cl, Br, I) perovskites: A first principles study

Mohib Ullah, R. Neffati, G. Murtaza, Shamim Khan, Muhammad Haneef and Muhammad Waqar Ashraf

Materials Science in Semiconductor Processing, 2022, 150, 106977
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First‐Principles Investigation of Structural, Electronic, Optical, Mechanical, and Thermoelectric Properties of Lead‐Free ASnI3 (A = K, Rb, Cs) Halide Perovskites

Rabab Benredouane, Djamel Boudjaadar, Fayçal Oumelaz, Ouarda Nemiri, Akila Boumaza and Ashim Dutta

Physica Status Solidi (b), 2026, 263
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Full-inorganic metal halide perovskites ATX3 as promising candidate materials for future photovoltaics and optospintronics applications

M. Musa Saad H.-E., A. M. Alshmssan and M. N. Alolayan

AIP Advances, 2026, 16
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TlBX3 (B = Ge, Sn; X = Cl, Br, I): Promising non-toxic metal halide perovskites for scalable and affordable optoelectronics

Jahid Kabir Rony, Minhajul Islam, Md Saiduzzaman, Khandaker Monower Hossain, Safin Alam, Arpon Biswas, M.H. Mia, Sohail Ahmad and S.K. Mitro

Journal of Materials Research and Technology, 2024, 29, 897
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Pressure-driven semiconducting to metallic transition in francium tin trihalides perovskite with improved optoelectronic performance: A DFT study

Imtiaz Ahamed Apon, M. D. Ratul Hasan, Istiak Ahmed Ovi and Fatema-Tuz-Zahra

AIP Advances, 2024, 14
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DFT and TD-DFT studies of perovskite materials LiAX3 (A=Ge, Sn; X= F, Cl, Br, I) in reference to their solar cell applications

Pooja Sharma, Prabhat Ranjan and Tanmoy Chakraborty

Materials Today Sustainability, 2024, 26, 100791
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Customizing the optical, electronic and transport attributes of lead-free hybrid FASnBr3 perovskites triggered by spin-orbit coupling and strains

Nusrat Jahan, Farah B.H. Pritu, Md Rasidul Islam, Budrun Neher, M Mahbubur Rahman and Farid Ahmed

Heliyon, 2025, 11, e41886
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Electronic, Optical, and Thermodynamic Properties of 2D RbSnI3 Perovskite: A Promising Lead-Free Material for Infrared Optoelectronics

Karam Chand, Mitesh B. Solanki, G. D. Jadav, S. H. Gediya, Nisha Mahepal and Yash Ghoda

J. Electron. Mater., 2026
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Additive engineering of nonlinear optical properties of all-inorganic halide perovskites

Ali Fatemi, Kazem Jamshidi-Ghaleh, Tavakkol Tohidi and Farzaneh Bayat

J. Opt., 2025, 27, 045501
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The Effect of Phase Changes on Optoelectronic Properties of Lead-Free CsSnI3 Perovskites

Dilshod D. Nematov, Amondulloi S. Burkhonzoda, Mekhrdod S. Kurboniyon, Umar Zafari, Kholmirzo T. Kholmurodov, Mikhail G. Brik, Tomoyuki Yamamoto and Farhod Shokir

J. Electron. Mater., 2025, 54, 1634
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Solar brilliance unleashed: Maximizing performance of novel carbon-based Rb-doped CsSnI3 perovskite solar cells by gradient doping

Neetika Yadav, Ayush Khare and Manish Kumar

Materials Today Sustainability, 2024, 28, 100955
DOI: 10.1016/j.mtsust.2024.100955

Exploring new lead-free halide perovskites RbSnM3 (M = I, Br, Cl) and achieving power conversion efficiency > 32 %

Md. Harun-Or-Rashid, Md. Ferdous Rahman, Mongi Amami, Lamia Ben Farhat, Md. Monirul Islam and Abdellah Benami

Journal of Physics and Chemistry of Solids, 2025, 197, 112437
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Density Functional Theory Computation of the Electronic, Elastic, Phonon, X-ray Spectroscopy, and the Optoelectronic Properties of CsXI3(X: Si, Ge, Sn) Halide Perovskite Materials

Stephen A. Adalikwu, Hitler Louis, Daniel Etiese, Udochukwu G. Chukwu and Ernest C. Agwamba

J. Comput. Biophys. Chem., 2023, 22, 1081
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Phosphorus-doped T-graphene nanocapsule toward O3 and SO2 gas sensing: a DFT and QTAIM analysis

Mohammad Tanvir Ahmed, Abdullah Al Roman, Debashis Roy, Shariful Islam and Farid Ahmed

Sci Rep, 2024, 14
DOI: 10.1038/s41598-024-54110-z

In-depth exploration of optoelectronic and PV characteristics in lead-free Ca3BiF3 perovskite solar cells: numerical simulations and machine learning approaches

Bipul Chandra Biswas, Asadul Islam Shimul, Abdulaziz A. Alshihri, Ali El‑Rayyes, Mohd Taukeer Khan and Md. Azizur Rahman

Multiscale and Multidiscip. Model. Exp. and Des., 2026, 9
DOI: 10.1007/s41939-025-01079-5

Rubidium based new lead free high performance perovskite solar cells with SnS2 as an electron transport layer

Md. Selim Reza, Md. Ferdous Rahman, Md. Shamim Reza, Md. Rasidul Islam, Ubaid Ur Rehman, Aijaz Rasool Chaudhry and Ahmad Irfan

Materials Today Communications, 2024, 39, 108714
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Optical absorption and dispersion analysis of Cu1.5Mn1.5O4 nanocrystalline compound towards optoelectronic applications

Abir Hadded, Faical Mselmi, Souha Kammoun and Essebti Dhahri

Optics & Laser Technology, 2025, 183, 112244
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Unlocking the structural, mechanical, optical, and electronic properties of novel inorganic cubic lead free halide perovskites Ca3SbX3 (X = F, Cl, Br, I)

Md. Monirul Islam, Md. Harun-Or-Rashid, Ahmad Irfan, Aijaz Rasool Chaudhry and Md. Ferdous Rahman

Polyhedron, 2024, 261, 117135
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Impact of Applied Pressure on Tin‐Based Cubic Halide Perovskite ASnX3 (A = Li, Na and X = Cl, Br, and I) in Reference to Their Optoelectronic Applications

M. D. Ratul Hasan, Imtiaz Ahamed Apon, Istiak Ahmed Ovi, Fatema-Tuz -Zahra and D. P. Rai

International Journal of Energy Research, 2024, 2024
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Design and analysis of RbBeBr3−xIx (x=0–3) lead-free perovskites: Tunable mechanical and optoelectronic properties via iodine substitution

Ismail Benaicha, Imane Laazizi, Youness Ait Alla, Jaouad Mhalla, Hafsa Diyagh, Khalid Nouneh, Smail Amraoui, Atika Fahmi, Marouan Karam, Ahmed Qachaou and Mounir Fahoume

Nano Trends, 2026, 13, 100172
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First-principles investigation of next-generation lead-free InXCl3 halide perovskites

S. M. Shamsuddoha, Shapnarup Bandhya, Istiak Ahmed Ovi and Tashikur Rahman

AIP Advances, 2025, 15
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Multifunctional Properties of 2D Graphitic Carbon Nitride: A Comprehensive First-Principles Study

E. Güler, Ş. Uğur, M. Güler and G. Uğur

J Inorg Organomet Polym, 2025
DOI: 10.1007/s10904-025-04097-5

Study of physical properties of SrBrCl and SrClBr compounds: A DFT approach

N. Maaouni, A. Jabar, S. Benyoussef and L. Bahmad

Vietnam Journal of Chemistry, 2026, 64, 245
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Lead-free Perovskites TlGeClxBr3-x (x=0,1,2,3) as Promising Materials for Solar Cell Application: a DFT Study

R K Pingak, A Z Johannes, N U J Hauwali and U A Deta

J. Phys.: Conf. Ser., 2023, 2623, 012002
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DFT-based study of Na2AgAlX6 (X = Cl, Br) halide double perovskites: insights from PBEsol, TB-mBJ, and HSE06 calculations for photovoltaic and photocatalytic applications

Arshad Khan, Naimat Ullah Khan, Khadim Ullah, Javed Iqbal, Hamid Ullah and Ali Rehman

Phys. Scr., 2025, 100, 055946
DOI: 10.1088/1402-4896/adc846

Insight into the Structural, Optical and Mechanical Properties of RbSnX3 (X = Cl, Br, I) under High Pressure

Siyuan Zhou, Xiaoyu Kuang, Fangguang Kuang, Jiasi Qiu, Miao Yu, Jichao Chen, Jiancheng Ma, Yangbo Li, Fengzhang Tang and Aijie Mao

J. Phys. Chem. C, 2023, 127, 13346
DOI: 10.1021/acs.jpcc.3c02729

The filaments control for tunning digital resistive switching in data storage application and analog behavior as an artificial synapse with CsPbBr3-based memristor

Yuanyuan Zhu, Mengyao Chen, Hongbing Lu, Pengtao Mi, Daobin Luo, Youqing Wang, Yong Liu, Rui Xiong and Hongjun Wang

Applied Physics Letters, 2024, 124
DOI: 10.1063/5.0188561

Effect of the oleylamine on non-stoichiometric crystal growth for Cs–Cu-X (X = Br, I) ternary system based microcrystal

Jung Hyeon Yoo, Ho Chan Yoo, Jaewan Park, Geon Jong Yu, Seung Hee Choi, Young Hyun Song, Sie-Wook Jeon, SangHwan Bak, Seongin Hong, Seok Bin Kwon and Dae Ho Yoon

Materials Today Chemistry, 2024, 42, 102400
DOI: 10.1016/j.mtchem.2024.102400

Density functional modelling of lead-free Sn-based AmSnX3 (Am=Rb, Cs; X=Cl, Br, I) perovskites as sustainable materials for optoelectronics and solar cell applications

Zia ur Rehman, Ayesha Saddiqa, A.F. Abd El-Rehim, Amna Parveen, Heba Y. Zahran and Zeesham Abbas

Journal of Molecular Graphics and Modelling, 2026, 142, 109227
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A Halide‐Based Perovskite CsGeX3 (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications

Lalengmawia Celestine, Renthlei Zosiamliana, Shivraj Gurung, Shalika Ram Bhandari, Amel Laref, Sherzod Abdullaev and Dibya Prakash Rai

Advcd Theory and Sims, 2024, 7
DOI: 10.1002/adts.202300566

The effect of pressure on the structural, electronic, optical and mechanical properties of lead-free ASnBr3 (A = Na, K, Rb, Cs) perovskites for solar technologies: First principles calculations

Berthelot S.D. Ramlina Vamhindi, Stève-Jonathan Koyambo-Konzapa and Eric K.K. Abavare

Computational Condensed Matter, 2025, 43, e01018
DOI: 10.1016/j.cocom.2025.e01018

DFT/TDDFT study of electronic, structural and optical properties of RbPbBr3/RbSnBr3 and RbXBr3/RbXBr2Cl (X = Pb, Sn) heterostructures

Yadollah Safaei Ardakani and Mahmood Moradi

Indian J Phys, 2024, 98, 3999
DOI: 10.1007/s12648-024-03168-6