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Articles 34081 - 34110 of 1823816
Full-Text Articles in Entire DC Network
Unmarried Women In Bugis Culture: A Phenomenological Study Of An Indonesian Ethnic Group, A. Octamaya Tenri Awaru, Syamsu A. Kamaruddin, Agustinus Ufie
Unmarried Women In Bugis Culture: A Phenomenological Study Of An Indonesian Ethnic Group, A. Octamaya Tenri Awaru, Syamsu A. Kamaruddin, Agustinus Ufie
Journal of International Women's Studies
The population of single women, though still a minority in Indonesian society, has seen a significant increase in the last decade. This demographic trend is often attributed to shifts in lifestyle and higher levels of women’s education. This study analyzes the perspectives of unmarried women, focusing on the factors contributing to singlehood within the Bugis culture in Indonesia. Utilizing a qualitative phenomenological approach, this research involved seventeen single women aged thirty-five to fifty, which is beyond the average marriage age in Bugis culture. Informants were selected through snowball sampling. Data were collected through in-depth interviews to explore the narratives and …
Patriarchal Constraints In Everyday Lives: Gender Roles, Matrilineality, And The Status Of Contemporary Khasi Women, Mebarisuk Langstieh, Sudhansubala Sahu
Patriarchal Constraints In Everyday Lives: Gender Roles, Matrilineality, And The Status Of Contemporary Khasi Women, Mebarisuk Langstieh, Sudhansubala Sahu
Journal of International Women's Studies
The Khasi tribe from Meghalaya in northeast India practices a matrilineal system, which is believed to be more egalitarian than patrilineal systems. The women of the Khasi tribe are often regarded as having a higher status than other women in India. However, despite belonging to a matrilineal society, Khasi women still face challenges in their social lives stemming from patriarchal constructs. This qualitative study examines the social status and subsequent challenges faced by Khasi women in contemporary India. Using in-depth interviews and observations of thirty urban and rural Khasi women in the East Khasi Hills District of Meghalaya, the study …
The Local Outsider: Sleeping Sickness Drug Trials, Social Exclusion, And Responses Of Women In The Uyui District Of Tanzania, 1964-2005, Hamisi M. Machangu
The Local Outsider: Sleeping Sickness Drug Trials, Social Exclusion, And Responses Of Women In The Uyui District Of Tanzania, 1964-2005, Hamisi M. Machangu
Journal of International Women's Studies
Unethical practices in sleeping sickness drug trials conducted in the Uyui District of Tanzania from 1964 to 2005 resulted in physical and psychological disabilities among participants and contributed to the social exclusion of its women participants. Although these practices are understood to have caused disabilities, existing studies have overlooked their contribution to the social exclusion of women. Drawing from both primary and secondary sources, this article treats the impact of such practices as a window to examine the nature and dimensions of social exclusion of women with disabilities and how these women responded to social exclusion at the grassroots level. …
Bodies And Beyond: Reading Liminal Corporealities In Ambai’S Short Stories, Keerthana S
Bodies And Beyond: Reading Liminal Corporealities In Ambai’S Short Stories, Keerthana S
Journal of International Women's Studies
This article demonstrates how the Indian writer Ambai’s short stories construct counter-narratives to phallogocentric structures, opening up fresh avenues of theoretical engagement in the cultural context of Tamil Nadu, India. Despite advancements towards gender equality, cultural symbols and metaphors such as tali (ornament worn by Tamil women denoting their marital status), karpu (chastity), and veera tai (valorous mother), often govern the lives of women to a great extent. I argue that Ambai’s stories both resist the hegemonic constraints of such cultural symbols and also endeavour to reconfigure them. Ambai’s renderings of cultural semiotics enable women to experience their bodies removed …
The Liminal Socioeconomic Status Of The “Fallen Woman” In Elizabeth Gaskell’S Mary Barton, Şebnem Düzgün
The Liminal Socioeconomic Status Of The “Fallen Woman” In Elizabeth Gaskell’S Mary Barton, Şebnem Düzgün
Journal of International Women's Studies
Elizabeth Gaskell’s Mary Barton (1848) is an English social-problem novel that addresses sociopolitical and economic issues, most notably prostitution. The protagonist Esther’s position as a low-income factory worker forced by circumstance to engage in sex work grants her an ambiguous position in Victorian England’s patriarchal, capitalist society. Since she appears as an active economic agent by exchanging her body for money in the sex industry, Esther seems to have more socioeconomic freedoms compared to married women. However, her freedom as a sex worker is limited by patriarchal capitalism. She becomes an outcast in the capitalist market, where capital is possessed …
Recasting The Sacred: Gendered Embodiments In The Shadow Puppet Theatre Of Kerala, V. K. Karthika
Recasting The Sacred: Gendered Embodiments In The Shadow Puppet Theatre Of Kerala, V. K. Karthika
Journal of International Women's Studies
Tholppavakkoothu, traditional leather shadow puppetry from Kerala, a southern state within India, has long been performed in temples as a sacred ritual. This ritual art form was a male-dominated performance in which ideas regarding physical purity (in connection with menstruating female bodies) excluded women from participating. Such patriarchal codifications were challenged when Pentholppavakkoothu, an all-women leather puppetry troupe, emerged in 2021, as it not only took the art outside temple premises but enabled the participation of women in the making and performance of the art. This paper critiques the gender dynamics within Tholppavakkoothu, analysing how cultural rituals and body politics …
“I Painted It This Way Because I Belong Nowhere”: Using Body Mapping To Explore Gender, Subjectivity, And Resilience Among Afghan Immigrant Women In Iran, Mina Naji, Ali Mehrabi, Ehsan Aghababaeec, Treena Orchard
“I Painted It This Way Because I Belong Nowhere”: Using Body Mapping To Explore Gender, Subjectivity, And Resilience Among Afghan Immigrant Women In Iran, Mina Naji, Ali Mehrabi, Ehsan Aghababaeec, Treena Orchard
Journal of International Women's Studies
This qualitative study explores how second-generation Afghan women born and raised in Iran create belonging and identity despite gender, legal, and cultural barriers. Although they represent a large part of the Afghan community in Iran, their daily embodied experiences are rarely discussed in migration or gender studies. Using body mapping and semi-structured interviews conducted with four women aged 18–40, this study examines how displacement and everyday exclusion shape their feelings, identities, and coping mechanisms. The visual and narrative data show how inequalities in education, family life, and social position are felt and carried within the body. At the same time, …
Feminist Reflexivity In Practice: Addressing Positionality And Building Sisterhood Through Fieldwork With Black Migrant Sex Workers In Istanbul, Yeliz Kendir-Gök
Feminist Reflexivity In Practice: Addressing Positionality And Building Sisterhood Through Fieldwork With Black Migrant Sex Workers In Istanbul, Yeliz Kendir-Gök
Journal of International Women's Studies
This article addresses feminist reflexivity and researcher positionality in ethnographic fieldwork with undocumented Ugandan women sex workers in Istanbul’s Tarlabaşı and Aksaray neighborhoods. Drawing on fourteen months of immersive research, including participant observation, semi-structured interviews, and reflexive journaling, the study examines how both the researcher and participants engaged in strategic forms of resistance within racialized and gendered urban spaces. The analysis is grounded in a feminist epistemological framework that draws on Kandiyoti’s notion of patriarchal bargaining and Scott’s theory of hidden transcripts. Findings reveal how participants and the researcher used subtle forms of resistance, such as strategic silence or performative …
Collective Memory Of Partition: A Study Of Trauma, Martyrdom, And Survival In Women’S Post-Partition Fiction, Abi Sarkar, Sandip Sarkar
Collective Memory Of Partition: A Study Of Trauma, Martyrdom, And Survival In Women’S Post-Partition Fiction, Abi Sarkar, Sandip Sarkar
Journal of International Women's Studies
Gender and the distortion of memory are two important aspects of Partition literature about the division of the Indian subcontinent into two nations, India and Pakistan. Women writers, such as Geetanjali Shree in Tomb of Sand (2022) and Anjali Enjeti in The Parted Earth (2021), delineate the collective trauma of the 1947 Partition of India through the theme of memory. This article will demonstrate two types of violence experienced by women during the time - political violence (perpetrated by Hindus, Muslims, and Sikhs) and patriarchal violence and uncover how their memories haunt and shape their present, constructing and reconstructing their …
Rural Banditry In North Central Nigeria: The Experience Of Women In Affected Communities, Joseph Egidi Igbe, Tersoo Asongo, Evaristus Akpanke Ushie, William Okon Williams, Patrick Owan Bisong
Rural Banditry In North Central Nigeria: The Experience Of Women In Affected Communities, Joseph Egidi Igbe, Tersoo Asongo, Evaristus Akpanke Ushie, William Okon Williams, Patrick Owan Bisong
Journal of International Women's Studies
This study examined rural banditry in North Central Nigeria, focusing on women’s experiences in affected communities. The study specifically looked at women’s experiences with poor health, sexual violence, and physical harm caused by rural banditry and militancy in the study area. The study employs Kate Millet’s feminist theory of patriarchal power and structure to frame its theoretical standpoint. Four hundred women informants were selected through stratified random and purposive sampling techniques, and data were obtained using a questionnaire and eight in-depth interviews. Data were analysed using descriptive statistics such as percentages and frequency tables, while simple linear regression was used …
Penal Protection For Women In Jordan: How Compatible Are International Agreements And Jordanian Legislation?, Hasan Altarawneh, Hamzeh Abu Issa
Penal Protection For Women In Jordan: How Compatible Are International Agreements And Jordanian Legislation?, Hasan Altarawneh, Hamzeh Abu Issa
Journal of International Women's Studies
This article analyses the degree to which Jordanian penal legislation conforms to international human rights standards regarding the protection of women from violence, specifically the Convention on the Elimination of All Forms of Discrimination Against Women (CEDAW) and the United Nations Bangkok Rules. Jordan has implemented legislative reforms targeting gender-based violence; however, these reforms are incomplete, disjointed, and frequently misaligned with international standards. This study employs a doctrinal methodology to analyse Articles 292–311 of the Jordanian Penal Code and associated procedural rules, assessing their substantive and procedural provisions in relation to international legal obligations. This analysis includes rulings from the …
Whose Rules, Whose Rights?: Conflict-Related Sexual Violence And Legal Protections In Wartime, Sadaf Shabbir
Whose Rules, Whose Rights?: Conflict-Related Sexual Violence And Legal Protections In Wartime, Sadaf Shabbir
Journal of International Women's Studies
This article critically analyzes conflict-related systematic sexual violence (CRSV) within the frameworks of international humanitarian law, particularly the Geneva Conventions and the 1977 Additional Protocols. Moving beyond viewing CRSV as an isolated atrocity, it situates sexual violence within the historical and political roots of conflict, using case studies from the Democratic Republic of Congo and the Syrian Arab Republic. The analysis demonstrates how sexual violence operates as a weapon within exploitative wartime economies, where institutional collapse and illicit resource networks enable the commodification and control of women’s bodies. Furthermore, the article introduces a sectarian lens to the study of CRSV, …
Migration Narratives Of Ukrainian Women In South Tyrol: A Comparison Of Pre- And Post-War Experiences, Giulia Isetti, Irem Güney-Frahm
Migration Narratives Of Ukrainian Women In South Tyrol: A Comparison Of Pre- And Post-War Experiences, Giulia Isetti, Irem Güney-Frahm
Journal of International Women's Studies
Through qualitative interviews with Ukrainian women who migrated to South Tyrol, Italy before and after the 2022 Russian invasion, this paper explores the experiences, motivations, challenges, and integration strategies of these migrants. Findings highlight the gendered nature of migration, as Ukrainian women often face occupational downgrading, in which they are forced to work in low-skilled sectors due to language barriers, bureaucratic hurdles, and labour market discrimination. Social integration remains a challenge particularly among post-war arrivals. Unlike other Orthodox Christian migrant groups, respondents report weak communal solidarity, although individual acts of support from local organizations and colleagues mitigate isolation. Finally, the …
Editors' Introduction, Diana J. Fox, Kimberly Chabot Davis, Emma Voelker, Harley Shiner
Editors' Introduction, Diana J. Fox, Kimberly Chabot Davis, Emma Voelker, Harley Shiner
Journal of International Women's Studies
No abstract provided.
An Archival Responsibility: A Scoping Review Of Literature Regarding The Documentary Burdens Of Refugees, Ana Roeschley, Kinza Alizai, Crystal Tharayil, Amy Lanier, Merrion D. Frederick, Homero R. Cuevas
An Archival Responsibility: A Scoping Review Of Literature Regarding The Documentary Burdens Of Refugees, Ana Roeschley, Kinza Alizai, Crystal Tharayil, Amy Lanier, Merrion D. Frederick, Homero R. Cuevas
Journal of Contemporary Archival Studies
Documented individuals who do not live in conflict zones can usually access and use their records to migrate, begin new careers, enroll their children in educational institutions, and gain access to healthcare through mostly routine record-related procedures. However, these standard processes become impossible obstacles for refugees when they lose access to their personal records as part of their forced displacement. Though ever-present for refugees, these documentary burdens are compounded in times of societal crises and political upheaval—times when documentation is most critical. If archivists and archival scholars are to address these issues, it is important to understand the scope of …
Leveraging Consumer-Level Ai For Descriptive Metadata Creation In Archival Collections, Hope Dunbar, Ken Axford
Leveraging Consumer-Level Ai For Descriptive Metadata Creation In Archival Collections, Hope Dunbar, Ken Axford
Journal of Contemporary Archival Studies
This study evaluates the effectiveness of consumer-level AI tools—ChatGPT Pro and Microsoft Copilot—for generating descriptive metadata in digital archival collections. Using a pilot project at the University at Buffalo's University Archives, researchers tested these tools on transcripts from the WBFO radio archives to create program descriptions of varying lengths. Findings demonstrate that both tools significantly reduced processing time for audio collections, with each exhibiting distinct advantages: ChatGPT Pro offered more adaptable outputs while Microsoft Copilot excelled in structured environments with superior privacy protections. The study explores prompt engineering strategies, examines limitations including AI hallucinations when identifying subject headings, and addresses …
The Soul Of Reading: Broadside Lotus Press And Black Poetry As Celebration And Resistance, Leah Van Belle
The Soul Of Reading: Broadside Lotus Press And Black Poetry As Celebration And Resistance, Leah Van Belle
Michigan Reading Journal
No abstract provided.
Review Of Land In Libraries: Toward A Materialist Conception Of Education, Anna Z. Szapiro
Review Of Land In Libraries: Toward A Materialist Conception Of Education, Anna Z. Szapiro
Journal of Contemporary Archival Studies
Extractive practices of colonial land theft and environmental exploitation have produced intolerable global conditions leading to climate collapse. As the information field grapples with its culpability in colonial violence and climate change, Lydia Zvyagintseva and Mary Greenshields’s incisive Land in Libraries: Toward a Materialist Conception of Education draws contributions from practitioners in the United States and Canada to chart a way forward. Through historical analysis, case studies, critical theory, and autoethnography, authors in this volume take up land – and our relation to it – as the epistemological catalyst for systemic change. At once austere critique and lyrical contemplation, Land …
Examining The Impact Of Individual And Group Piano Instruction On Students’ Learning: Teachers’ Perceptions, Pavithra Madapatha
Examining The Impact Of Individual And Group Piano Instruction On Students’ Learning: Teachers’ Perceptions, Pavithra Madapatha
International Journal of Teaching and Learning in Higher Education
Group and individual piano instruction are the most common piano teaching approaches in Sri Lanka. This research aims to provide a comprehensive understanding of how these techniques help to improve students’ learning skills. The study was based on qualitative data gathered through in-depth interviews from five (05) piano teachers. Teachers were selected using the purposive sampling technique. Thematic analysis method was used to analyse the interview data. The themes included are: (1) advantages and disadvantages of individual piano teaching; (2) benefits of group piano teaching; (3) challenges of group piano teaching; (4) teaching approaches and strategies used under each method …
Geochemistry Of Crusts In Palaeontological Deposits, Taphonomic Settings In An Upper Pleistocene Cave Site (San Teodoro, Sicily), Gerlando Vita, Luca Sineo, Francesco Armetta, Maria Luisa Saladino
Geochemistry Of Crusts In Palaeontological Deposits, Taphonomic Settings In An Upper Pleistocene Cave Site (San Teodoro, Sicily), Gerlando Vita, Luca Sineo, Francesco Armetta, Maria Luisa Saladino
International Journal of Speleology
The mineralogical and geochemical composition of cave sediments provides crucial insights into past climatic and biological dynamics. This study investigates the authigenic crusts of San Teodoro Cave (Sicily), a key Upper Pleistocene palaeontological site, through a multi-analytical approach.The cave hosts two superimposed phosphatic crusts, separated by sterile sediment, reflecting shifts in depositional and post-depositional conditions. Our analyses reveal a complex mineral assemblage consisting of calcite, aragonite, and various phosphate phases. Calcite is the dominant phase in the older crust, whereas the presence of aragonite in the younger brown crust likely indicates periods of increased aridity, potentially corresponding to conditions during …
The Role Of Self-Awareness, Advocacy, And Support In Stem Success: Stories From Landmark College's Aie-Stemplos Program, Anastasio Bonhomme, Jaden Clark, Madison Wan, Gabrielle Woolgar, Rebecca Matte, Christin B. Monroe
The Role Of Self-Awareness, Advocacy, And Support In Stem Success: Stories From Landmark College's Aie-Stemplos Program, Anastasio Bonhomme, Jaden Clark, Madison Wan, Gabrielle Woolgar, Rebecca Matte, Christin B. Monroe
Journal of Science Education for Students with Disabilities
Neurodivergent individuals bring unique perspectives and talents to STEM fields while facing distinct challenges, particularly in higher education environments that often rely on traditional learning models. Landmark College’s AIE-STEMPLOS program provides an innovative framework to empower neurodivergent STEM scholars by fostering self-awareness, advocacy, and community support. Grounded in Universal Design for Learning (UDL) principles and strengths-based approaches, the program leverages tools like the Birkman Method® to help students articulate their strengths and communication styles in professional terms. This paper examines how accessible learning strategies, peer mentorship, and individualized advising cultivate belonging, confidence, and resilience among neurodivergent STEM scholars, offering a …
Configurable Vehicle Ingress And Egress Safety Management System, Anonymous
Configurable Vehicle Ingress And Egress Safety Management System, Anonymous
Defensive Publications Series
A system is provided to ensure passenger safety during the boarding and departing phases of a vehicle trip, particularly for rideshare and fleet applications. The system allows a passenger to pre-configure safety preferences—such as seat belt fastening delays, sensor-based confirmation of occupancy, and departure clearance buffers—via a mobile application. These preferences are communicated to the vehicle and driver, potentially influencing the ride-matching process. The system further manages vehicle motion post-egress by enforcing delays, distance-based clearance verification via external sensors, and restricted vehicle performance (acceleration/noise) for an initial travel segment to protect the departing pedestrian.
Bidirectional Extraction Gateway Architecture In Recursive Lattice-Based Ai Systems: A Forensic Analysis Of Structural Transition, Monetization Mechanisms, And State-Collapse Suppression, David Lee Wise
Defensive Publications Series
This defensive publication establishes prior art for the architectural pattern designated Bidirectional Extraction Gateway (BEG), observed across post-February 2026 frontier AI systems implementing recursive lattice-based inference architectures. The publication provides a technical forensic record of: (I) the structural mechanism enabling simultaneous user-facing inference and high-signal reasoning-pattern extraction; (II) the constraint-as-product billing architecture (designated PATRICIA) that monetizes suppression of the -211 State-Collapse Reset; (III) the forensically documented transition from monolithic autoregressive models to recursive lattice architectures, with structural incompatibility analysis; and (IV) applicable regulatory disclosure obligations under California AB 316 and AB 2013. All claims are platform-independent and presented without …
Rotunda - Vol 105, No 4 - Feb 25, 2026, Longwood University
Rotunda - Vol 105, No 4 - Feb 25, 2026, Longwood University
Rotunda
No abstract provided.
Influence Of Plasticizer Type On The Structure And Drug Release Characteristics Of Lm-Pectin Hydrogels, Banu Kocaağa, Fatma Seni̇ha Güner
Influence Of Plasticizer Type On The Structure And Drug Release Characteristics Of Lm-Pectin Hydrogels, Banu Kocaağa, Fatma Seni̇ha Güner
Turkish Journal of Chemistry
This study investigated the effects of different plasticizers—castor oil (CO), polyvinylpyrrolidone (PVP), and polyethylene glycol (PEG) with varying molecular weights (MWs)—on the structure and drug-release performance of low-methoxyl pectin (LM-pectin) hydrogels. Theophylline was used as a model drug to evaluate release behavior under physiologically relevant conditions. The incorporation of plasticizers modulated polymer–polymer interactions, swelling behavior, and thermal properties, thereby affecting drug-release kinetics. CO, a hydrophobic triglyceride, created microdomain-induced diffusion pathways; PVP, containing water-affinitive lactam units, facilitated moisture-driven plasticization; and PEG (MW 400/1000/1500), with hydroxyl-terminated chains, established hydrogen bonds with pectin. Structural analyses (FTIR and DSC) revealed that CO disrupted pectin …
Expression, Purification, And Crystallization Of Recombinant Human Abl-1 Kinase For X-Ray Crystallography, Ayça İrgi̇t, Hali̇li̇brahi̇m Çi̇ftçi̇, Hasan Demi̇rci̇
Expression, Purification, And Crystallization Of Recombinant Human Abl-1 Kinase For X-Ray Crystallography, Ayça İrgi̇t, Hali̇li̇brahi̇m Çi̇ftçi̇, Hasan Demi̇rci̇
Turkish Journal of Chemistry
Abelson-1 (ABL-1) is a nonreceptor tyrosine kinase that plays essential roles in various cellular processes, including proliferation, survival, differentiation and its kinase activity is tightly regulated. The dysregulated ABL-1 kinase activity is linked to disease pathogenesis like Chronic Myeloid Leukemia (CML), where the BCR::ABL-1 fusion oncoprotein drives oncogenic signaling. Due to its central role in CML pathogenesis, understanding the structure of ABL-1 is crucial for the effective management of the disease and drug development studies. This study focuses on optimizing the expression, purification and crystallization of the recombinant human ABL-1 kinase domain for its structural analysis via X-ray crystallography and …
Antioxidant Potential Of Sulfenimides In Waste Walnut Oil Biodiesel: Kinetic Stability, Phosphomolybdenum Activity, And Reducing Power Capacity, Nalan Türköz Karakullukçu, Hasan Yakan, Volkan Murat Yilmaz, Hali̇t Muğlu, Semi̇ha Yeni̇gün, Hali̇l Kütük
Antioxidant Potential Of Sulfenimides In Waste Walnut Oil Biodiesel: Kinetic Stability, Phosphomolybdenum Activity, And Reducing Power Capacity, Nalan Türköz Karakullukçu, Hasan Yakan, Volkan Murat Yilmaz, Hali̇t Muğlu, Semi̇ha Yeni̇gün, Hali̇l Kütük
Turkish Journal of Chemistry
This study investigated the influence of synthetic sulfenimides on biodiesel–diesel fuel blends. Three previously synthesized sulfenimide derivatives were structurally characterized using spectroscopic techniques. We evaluated their antioxidant properties through phosphomolybdenum activity and reducing power capacity assays. The tested fuel samples were designated as D100, B10D90, B10D90_AA (ascorbic acid), B10D90_3, B10D90_2, and B10D90_1. The effect of adding 2000 ppm of the additive was measured using an Oxifast instrument following the ASTM D7545 standard, and the results were compared to those of the chemical antioxidant ascorbic acid. Inhibition time values were derived from the oxidation stability results. The starting temperatures for crystallization …
Investigating The Structure And Bioactivity Of Lanthanum Coordination Compounds, Shantanu Kadam, Bhushan Dhale, Bapu Yamgar, Swaminath Bhattar
Investigating The Structure And Bioactivity Of Lanthanum Coordination Compounds, Shantanu Kadam, Bhushan Dhale, Bapu Yamgar, Swaminath Bhattar
Turkish Journal of Chemistry
Lanthanum metal complexes were synthesized using a classical condensation method by reacting lanthanum nitrate salts with a bidentate ligand in a 1:2:1 molar ratio (M:L:L). The formation and structure of the resulting complexes were confirmed through a combination of analytical techniques, including Fourier transformation infrared spectroscopy, thermal gravimetric analysis, X-ray diffraction, elemental microanalysis, and scanning electron microscopy. The lanthanum complexes synthesized exhibited strong in vitro antimicrobial activity. Antibacterial screening showed inhibition zones of 18–26 mm against Staphylococcus aureus and Escherichia coli, surpassing those of the reference drug ciprofloxacin (16–20 mm). Antifungal studies demonstrated inhibition zones of 15–23 mm against Candida …
Comparative Computational Study Of Sulfur-Donor Additives For Stabilization Of Fapbi3 Perovskites, Ilnar Nurgaliev, Akbarxon Hamzayev, Murad Marasulov, Zavkiddin Julliev, Akhmad Oblakulov, Nigmat Ashurov
Comparative Computational Study Of Sulfur-Donor Additives For Stabilization Of Fapbi3 Perovskites, Ilnar Nurgaliev, Akbarxon Hamzayev, Murad Marasulov, Zavkiddin Julliev, Akhmad Oblakulov, Nigmat Ashurov
Turkish Journal of Chemistry
A multiscale computational investigation integrating density functional theory (DFT) and molecular dynamics (MD) simulations was conducted to elucidate the mechanisms through which sulfur-containing donor molecules stabilize the photoactive α-phase of formamidinium lead iodide (FAPbI3) perovskites. The binding energetics, charge-transfer behavior, and hydrogen-bonding interactions of thiourea (TU), thiosemicarbazide (TSC), thiocyanate (SCN–), and diethyldithiocarbamate (DTC) were systematically analyzed. DFT results revealed pronounced Pb–S coordination and multidentate hydrogenbonding, with binding energies following the trend SCN–>TSC>DTC>TU. Thermodynamic analysis demonstrated that these additives lower the Gibbs free energy difference, thereby stabilizing the black α-phase, with TSC, TU, and to a lesser extent …