Category Ranking
98%
Total Visits
921
Avg Visit Duration
2 minutes
Citations
20
Article Abstract
Oxygen vacancies (OVs) on metal oxide surfaces are widely recognized as catalytically active sites; however, the impact of their distribution on the catalytic performance remains underexplored. In this study, we used density functional theory (DFT) calculations combined with a machine learning potential to investigate the distribution of OVs on the ZnO-(10 0) surface and their role in CO hydrogenation. We efficiently analyzed over 700,000 potential OV configurations by reducing them to unique, irreducible structures using the self-developed DefectMaker program. Our results revealed that higher OV concentrations led to the formation of linear OV structures, which, despite their energetic stability, exhibited lower CO hydrogenation efficiency compared to isolated OVs, due to the reduced surface polarization with linear OVs. Additionally, a comparative investigation on InO surfaces revealed a scattered distribution of OVs, maintaining the material's catalytic activity in CO hydrogenation. This work provides a deeper understanding of defect engineering in metal oxides for a more efficient CO conversion.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC12308398 | PMC |
| http://dx.doi.org/10.1021/jacsau.5c00304 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Influence of Oxygen Vacancy Distribution on CO Hydrogenation: A Case Study of ZnO and InO.
JACS Au
July 2025
State Key Laboratory for Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
Oxygen vacancies (OVs) on metal oxide surfaces are widely recognized as catalytically active sites; however, the impact of their distribution on the catalytic performance remains underexplored. In this study, we used density functional theory (DFT) calculations combined with a machine learning potential to investigate the distribution of OVs on the ZnO-(10 0) surface and their role in CO hydrogenation. We efficiently analyzed over 700,000 potential OV configurations by reducing them to unique, irreducible structures using the self-developed DefectMaker program.
View Article and Find Full Text PDFOncolytic virus-mediated immunomodulation in glioblastoma: Insights from clinical trials and challenges.
Semin Immunol
September 2025
Harvey Cushing Neuro-oncology Laboratories, Department of Neurosurgery, Brigham and Women's Hospital, Harvard Medical School, Boston, MA, USA; Dana-Farber Cancer Institute, Boston, MA, USA.
The pivotal involvement of the host immune system in cancer therapy has dramatically reshaped therapeutic paradigms, inaugurating the era of immunotherapy. Nonetheless, antigen-specific immunotherapies encounter substantial hurdles within the highly immunosuppressive microenvironment of glioblastoma (GBM), which thwarts antitumor T-cell immunity. Oncolytic viruses (OVs), a form of immunotherapy that inflames the GBM microenvironment, have been subject to clinical evaluation, yielding promising outcomes.
View Article and Find Full Text PDFAn optical vortex array (OVA) provides more degrees of freedom for modulation by controlling the number and spatial distribution of optical vortices (OVs). However, traditional approaches such as spatial light modulation need to utilize numerous complex optical components to generate an OVA and bulky objective lenses to focus it. We reported a highly integrated all-fiber generator of the focused optical vortex array (FOVA) in this work.
View Article and Find Full Text PDFMolecular Pathology Methods to Characterize Biodistribution and Pharmacodynamics of the Oncolytic Virus VSV-GP in a Nonclinical Tumor Model.
Toxicol Pathol
January 2025
Nonclinical Drug Safety, Boehringer Ingelheim Pharmaceuticals, Inc., Ridgefield, Connecticut, USA.
Replication-competent oncolytic virus (OV) therapies are a promising new modality for cancer treatment. However, they pose unique challenges for preclinical assessment, due in part to their tumor specificity and ability to self-replicate in vivo. Understanding biodistribution, immune cell responses, and potential effects of intratumoral replication on these outcomes are important aspects of the nonclinical profile for OVs.
View Article and Find Full Text PDFExtracellular matrix re-normalization to improve cold tumor penetration by oncolytic viruses.
Front Immunol
May 2025
Jiangzhong Cancer Research Center, Jiangxi University of Chinese Medicine, Nanchang, Jiangxi, China & Jiangxi Engineering Research Center for Translational Cancer Technology, Jiangxi University of Chinese Medicine, Nanchang, China.
Immunologically inert or cold tumors pose a substantial challenge to the effectiveness of immunotherapy. The use of oncolytic viruses (OVs) to induce immunogenic cell death (ICD) in tumor cells is a well-established strategy for initiating the cancer immunity cycle (CIC). This process promotes the trafficking and infiltration of CD8+ T cells into tumors, thereby eliciting a tumor-specific immune response.
View Article and Find Full Text PDF