Search Results - "SHEVLIN, Stephen A"

Unique hole-accepting carbon-dots promoting selective carbon dioxide reduction nearly 100% to methanol by pure water by Wang, Yiou, Liu, Xu, Han, Xiaoyu, Godin, Robert, Chen, Jialu, Zhou, Wuzong, Jiang, Chaoran, Thompson, Jamie F., Mustafa, K. Bayazit, Shevlin, Stephen A., Durrant, James R., Guo, Zhengxiao, Tang, Junwang

“…Solar-driven CO 2 reduction by abundant water to alcohols can supply sustainable liquid fuels and alleviate global warming. However, the sluggish water…”
Get full text

Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons by Han, Xiaoyu, Stewart, Henry Morgan, Shevlin, Stephen A, Catlow, C. Richard A, Guo, Zheng Xiao

“…Passivated phosphorene nanoribbons, armchair (a-PNR), diagonal (d-PNR), and zigzag (z-PNR), were investigated using density functional theory. Z-PNRs…”
Get full text

Flexible and Binder-Free Organic Cathode for High-Performance Lithium-Ion Batteries by Wu, Haiping, Shevlin, Stephen A., Meng, Qinghai, Guo, Wei, Meng, Yuena, Lu, Kun, Wei, Zhixiang, Guo, Zhengxiao

“…Fabrication of a flexible organic ­electrode by growing polyimide nanoflakes on single‐wall carbon nanotube films is presented. The flexible electrode exhibits…”
Get full text

Fe2O3-TiO2 Nanocomposites for Enhanced Charge Separation and Photocatalytic Activity by Moniz, Savio J. A., Shevlin, Stephen A., An, Xiaoqiang, Guo, Zheng-Xiao, Tang, Junwang

“…Photocatalysis provides a cost effective method for both renewable energy synthesis and environmental purification. Photocatalytic activity is dominated by the…”
Get full text

Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination by Buckeridge, John, Butler, Keith T, Catlow, C. Richard A, Logsdail, Andrew J, Scanlon, David O, Shevlin, Stephen A, Woodley, Scott M, Sokol, Alexey A, Walsh, Aron

“…We report that the valence and conduction band energies of TiO2 can be tuned over a 4 eV range by varying the local coordination environments of Ti and O. We…”
Get full text

Compressive Straining of Bilayer Phosphorene Leads to Extraordinary Electron Mobility at a New Conduction Band Edge by Morgan Stewart, Henry, Shevlin, Stephen A, Catlow, C. Richard A, Guo, Zheng Xiao

“…By means of hybrid DFT calculations and the deformation potential approximation, we show that bilayer phosphorene under slight compression perpendicular to its…”
Get full text

Limits to Doping of Wide Band Gap Semiconductors by Walsh, Aron, Buckeridge, John, Catlow, C. Richard A, Jackson, Adam J, Keal, Thomas W, Miskufova, Martina, Sherwood, Paul, Shevlin, Stephen A, Watkins, Mathew B, Woodley, Scott M, Sokol, Alexey A

Get full text

Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer by Chai, Guo-Liang, Shevlin, Stephen A., Guo, Zhengxiao

“…Two-dimensional (2D) graphene and graphene oxide (GO) offer great potential as a new type of cost-efficient proton-exchange membranes (PEM) for electrochemical…”
Get full text

Anionic Dopants for Improved Optical Absorption and Enhanced Photocatalytic Hydrogen Production in Graphitic Carbon Nitride by Shevlin, Stephen A, Guo, Zheng Xiao

“…Graphitic carbon nitride is an exemplar material for metal-free photocatalytic hydrogen production, essential to drive the change to a greener economy…”
Get full text

Band alignment of rutile and anatase TiO2 by Scanlon, David O., Dunnill, Charles W., Buckeridge, John, Shevlin, Stephen A., Logsdail, Andrew J., Woodley, Scott M., Catlow, C. Richard A., Powell, Michael. J., Palgrave, Robert G., Parkin, Ivan P., Watson, Graeme W., Keal, Thomas W., Sherwood, Paul, Walsh, Aron, Sokol, Alexey A.

“…A convincing explanation of why mixed phases of anatase and rutile TiO 2 outperform individual polymorphs is lacking. An energetic band alignment of ~0.4 eV is…”
Get full text

Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description by Berardo, Enrico, Hu, Han-Shi, Shevlin, Stephen A, Woodley, Scott M, Kowalski, Karol, Zwijnenburg, Martijn A

“…We have investigated the suitability of Time-Dependent Density Functional Theory (TD-DFT) to describe vertical low-energy excitations in naked and hydrated…”
Get full text

Towards rigorous multiscale flow models of nanoparticle reactivity in chemical looping applications by Andersson, Stefan, Radl, Stefan, Svenum, Ingeborg-Helene, Shevlin, Stephen A., Guo, Z. Xiao, Amini, Shahriar

“…[Display omitted] •A multiscale modeling framework for fluidized bed reactors is presented.•Chemical looping reforming reactor employing iron oxide…”
Get full text

Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT by Berardo, Enrico, Hu, Han-Shi, van Dam, Hubertus J. J, Shevlin, Stephen A, Woodley, Scott M, Kowalski, Karol, Zwijnenburg, Martijn A

“…We have investigated the description of excited state relaxation in naked and hydrated TiO2 nanoparticles using Time-Dependent Density Functional Theory…”
Get full text

A Metal-Free Oxygenated Covalent Triazine 2‑D Photocatalyst Works Effectively from the Ultraviolet to Near-Infrared Spectrum for Water Oxidation Apart from Water Reduction by Kong, Dan, Han, Xiaoyu, Shevlin, Stephen A, Windle, Christopher, Warner, Jamie H, Guo, Zheng-Xiao, Tang, Junwang

“…Solar-driven water splitting is highly desirable for hydrogen fuel production, particularly if water oxidation is effectively sustained in a complete cycle…”
Get full text

Modeling Excited States in TiO 2 Nanoparticles: On the Accuracy of a TD-DFT Based Description by Berardo, Enrico, Hu, Han-Shi, Shevlin, Stephen A, Woodley, Scott M, Kowalski, Karol, Zwijnenburg, Martijn A

“…We have investigated the suitability of Time-Dependent Density Functional Theory (TD-DFT) to describe vertical low-energy excitations in naked and hydrated…”
Get full text

Hydrogen-induced magnetization and tunable hydrogen storage in graphitic structures by Lei, Yang, Shevlin, Stephen A., Zhu, Wenguang, Guo, Zheng Xiao

Get full text

Fe 2 O 3 –TiO 2 Nanocomposites for Enhanced Charge Separation and Photocatalytic Activity by Moniz, Savio J. A., Shevlin, Stephen A., An, Xiaoqiang, Guo, Zheng‐Xiao, Tang, Junwang

“…Abstract Photocatalysis provides a cost effective method for both renewable energy synthesis and environmental purification. Photocatalytic activity is…”
Get full text

Fe sub(2)O sub(3)-TiO sub(2) Nanocomposites for Enhanced Charge Separation and Photocatalytic Activity by Moniz, Savio JA, Shevlin, Stephen A, An, Xiaoqiang, Guo, Zheng-Xiao, Tang, Junwang

“…Photocatalysis provides a cost effective method for both renewable energy synthesis and environmental purification. Photocatalytic activity is dominated by the…”
Get full text

Polymorph Engineering of TiO 2 : Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination by Buckeridge, John, Butler, Keith T., Catlow, C. Richard A., Logsdail, Andrew J., Scanlon, David O., Shevlin, Stephen A., Woodley, Scott M., Sokol, Alexey A., Walsh, Aron

Get full text

Describing Excited State Relaxation and Localization in TiO 2 Nanoparticles Using TD-DFT by Berardo, Enrico, Hu, Han-Shi, van Dam, Hubertus J. J., Shevlin, Stephen A., Woodley, Scott M., Kowalski, Karol, Zwijnenburg, Martijn A.

Get full text