المؤلفون: Dipali Nayak (14289616), Rajalingam Thangavel (14289619)

مصطلحات موضوعية: Biophysics, Genetics, Physiology, Biotechnology, Evolutionary Biology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, worldwide energy shortage, valence band maxima, suitable semiconductor photocatalyst, suggests faster migration, stable structure due, solar energy harvesting, oxygen evolution reaction, new research interest, lower recombination rate, hydrogen evolution reaction, excellent carrier mobility, driven hydrogen generation, conduction band minima, 51 × 10, 33 × 10, 3 × 10, attended suitable cbm, 5 , 2 , hs ), conf

Relation: https://figshare.com/articles/journal_contribution/Strain_Modulated_Electronic_and_Photocatalytic_Properties_of_MoS_sub_2_sub_WS_sub_2_sub_Heterostructure_A_DFT_Study/21763915

الاتاحة: https://doi.org/10.1021/acsaelm.2c01344.s001

المؤلفون: Max Kraut (3236094), Elise Sirotti (8623125), Florian Pantle (8623128), Theresa Hoffmann (4056214), Martin Stutzmann (1404514)

مصطلحات موضوعية: Biochemistry, Medicine, Biotechnology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, zno solid solutions, typical urbach energies, recent years due, provide unprecedented access, molecular beam epitaxy, limitations typically inflicted, important redox levels, hexagonal crystal phases, conduction band minima, conduction band edges, tunable band gap, band gap control, opened new prospects, solar energy harvesting, infrared energy region, 5 , 20 , band gap range, structural characterization reveals, lower values compared, introducing mbe growth, valence band maxima

Relation: https://figshare.com/articles/journal_contribution/Band_Gap_Control_and_Properties_of_Indium_Zinc_Oxynitride_Thin_Films_Grown_by_Molecular_Beam_Epitaxy/18737092

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c08630.s001

المؤلفون: Yubo Luo (4556230), Tian Xu (191516), Zheng Ma (351144), Dan Zhang (51283), Zhongnan Guo (4970899), Qinghui Jiang (4372705), Junyou Yang (2266888), Qingyu Yan (109352), Mercouri G. Kanatzidis (1350288)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Neuroscience, Physiology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, valence band edge, Ag 2 Te precipitates exhibit, ZT, Cubic AgMnSbTe 3 Semiconductor, multi-peak valence band maxima, Ag 2 Te, ATMS, pair distribution function analysis, AgMnSbTe 3 crystallizes, AgMnSbTe 3, rock-salt NaCl structure, Ag 2 Te nanograins, High Thermoelectric Performance, 823 K

Relation: https://figshare.com/articles/journal_contribution/Cubic_AgMnSbTe_sub_3_sub_Semiconductor_with_a_High_Thermoelectric_Performance/15369709

الاتاحة: https://doi.org/10.1021/jacs.1c07522.s001

المؤلفون: Santosh K. Gupta (5507300), Brindaban Modak (1509097), Debarati Das (1697056), Ashok Kumar Yadav (1765633), Pampa Modak (9098636), Anil K. Debnath (5430644), Kathi Sudarshan (2581792)

مصطلحات موضوعية: Biophysics, Medicine, Evolutionary Biology, Cancer, Inorganic Chemistry, Infectious Diseases, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, charge transfer bands, conduction band minima, site-selective excitation, SnO 6 sites, photon emission, formation energy value, Efficient Photon Utilization, CaO 8, Oxygen Vacancies, OV, CaSnO 3, CaSnO 3 Perovskite, valence band maxima, light emission, CSO, CSOE, Synchrotron radiation-based, Eu, ABO 3 perovskites, undoped CaSnO 3

Relation: https://figshare.com/articles/journal_contribution/Light_Harvesting_from_Oxygen_Vacancies_and_A-_and_B_Site_Dopants_in_CaSnO_sub_3_sub_Perovskite_through_Efficient_Photon_Utilization_and_Local_Site_Engineering/14937506

الاتاحة: https://doi.org/10.1021/acsaelm.1c00426.s001

المؤلفون: Craig C. Laing (11112462), Jiahong Shen (4338886), Daniel G. Chica (5815373), Shelby A. Cuthriell (8379762), Richard D. Schaller (1287636), Chris Wolverton (1437355), Mercouri G. Kanatzidis (1350288)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Marine Biology, Cancer, Hematology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Re 6 Se 8, 1.83 ns, Re 6 S 8, iodine gas pressures, rhenium chalcohalide cluster compounds, valence band maxima, eV, work functions, Re 6 S 8 Cl 2 structure type, Semiconducting Cluster Compounds, DFT, alkali metal iodide salt fluxes, Photoluminescent Re 6 Q 8, nm, near-IR photoluminescence, direct-gap semiconductors, Re 6 S 4 Se 4, band gaps, calculation results

Relation: https://figshare.com/articles/journal_contribution/Photoluminescent_Re_sub_6_sub_Q_sub_8_sub_I_sub_2_sub_Q_S_Se_Semiconducting_Cluster_Compounds/14958510

الاتاحة: https://doi.org/10.1021/acs.chemmater.1c01696.s001

المؤلفون: Ranjan K. Sahu (2416711), Sunil Kumar (102321), Debleena Mandal (11112752), Sudeshna Das Chakraborty (6619070), Pallab Bhattacharya (453692), Trilochan Mishra (11112755)

مصطلحات موضوعية: Biophysics, Microbiology, Cell Biology, Biotechnology, Inorganic Chemistry, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, density, XPS, bond-induced surface depletion, Cd 3, valence band maxima, eV, depletion layer, ARXPS, Fermi energy level, VBM, angle-resolved X-ray photoelectron ., DOS, DFT, bulk, electron flood gun, CdS leaf structure

Relation: https://figshare.com/articles/journal_contribution/Dangling_Bond-Induced_Surface_Depletion_in_CdS_Leaf/14959133

الاتاحة: https://doi.org/10.1021/acsaelm.1c00123.s001

المؤلفون: Asadollah Bafekry (10500212), Masoud Shahrokhi (7016585), Aamir Shafique (9524068), Hamad R. Jappor (10500215), Mohamed M. Fadlallah (10500218), Catherine Stampfl (1304691), Mitra Ghergherehchi (10500221), Muhammad Mushtaq (788834), Seyed Amir Hossein Feghhi (10500224), Daniela Gogova (1974379)

مصطلحات موضوعية: Biophysics, Medicine, Biotechnology, Science Policy, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, alloy unit cell, First-Principles Calculation Study, valence band maxima, entropy-stabilized chalcogenide alloys, power factor value, theory-based first-principles calcu., GeSnPbSSeTe alloy, Semiconducting Chalcogenide Alloys, p-type power factor

Relation: https://figshare.com/articles/journal_contribution/Semiconducting_Chalcogenide_Alloys_Based_on_the_Ge_Sn_Pb_S_Se_Te_Formula_with_Outstanding_Properties_A_First-Principles_Calculation_Study/14343068

الاتاحة: https://doi.org/10.1021/acsomega.0c06024.s001

المؤلفون: Craig C. Laing, Jiahong Shen, Daniel G. Chica, Shelby A. Cuthriell, Richard D. Schaller, Chris Wolverton, Mercouri G. Kanatzidis

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Marine Biology, Cancer, Hematology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Re 6 Se 8, 1.83 ns, Re 6 S 8, iodine gas pressures, rhenium chalcohalide cluster compounds, valence band maxima, eV, work functions, Re 6 S 8 Cl 2 structure type, Semiconducting Cluster Compounds, DFT, alkali metal iodide salt fluxes, Photoluminescent Re 6 Q 8, nm, near-IR photoluminescence, direct-gap semiconductors, Re 6 S 4 Se 4, band gaps, calculation results

Relation: https://doi.org/10.1021/acs.chemmater.1c01696.s002

الاتاحة: https://doi.org/10.1021/acs.chemmater.1c01696.s002

المؤلفون: Craig C. Laing (11112462), Jiahong Shen (4338886), Daniel G. Chica (5815373), Shelby A. Cuthriell (8379762), Richard D. Schaller (1287636), Chris Wolverton (1437355), Mercouri G. Kanatzidis (1350288)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Marine Biology, Cancer, Hematology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Re 6 Se 8, 1.83 ns, Re 6 S 8, iodine gas pressures, rhenium chalcohalide cluster compounds, valence band maxima, eV, work functions, Re 6 S 8 Cl 2 structure type, Semiconducting Cluster Compounds, DFT, alkali metal iodide salt fluxes, Photoluminescent Re 6 Q 8, nm, near-IR photoluminescence, direct-gap semiconductors, Re 6 S 4 Se 4, band gaps, calculation results

Relation: https://figshare.com/articles/dataset/Photoluminescent_Re_sub_6_sub_Q_sub_8_sub_I_sub_2_sub_Q_S_Se_Semiconducting_Cluster_Compounds/14958513

الاتاحة: https://doi.org/10.1021/acs.chemmater.1c01696.s002

المؤلفون: Craig C. Laing (11112462), Jiahong Shen (4338886), Daniel G. Chica (5815373), Shelby A. Cuthriell (8379762), Richard D. Schaller (1287636), Chris Wolverton (1437355), Mercouri G. Kanatzidis (1350288)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Marine Biology, Cancer, Hematology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Re 6 Se 8, 1.83 ns, Re 6 S 8, iodine gas pressures, rhenium chalcohalide cluster compounds, valence band maxima, eV, work functions, Re 6 S 8 Cl 2 structure type, Semiconducting Cluster Compounds, DFT, alkali metal iodide salt fluxes, Photoluminescent Re 6 Q 8, nm, near-IR photoluminescence, direct-gap semiconductors, Re 6 S 4 Se 4, band gaps, calculation results

Relation: https://figshare.com/articles/dataset/Photoluminescent_Re_sub_6_sub_Q_sub_8_sub_I_sub_2_sub_Q_S_Se_Semiconducting_Cluster_Compounds/14958516

الاتاحة: https://doi.org/10.1021/acs.chemmater.1c01696.s003

المؤلفون: Craig C. Laing (11112462), Jiahong Shen (4338886), Daniel G. Chica (5815373), Shelby A. Cuthriell (8379762), Richard D. Schaller (1287636), Chris Wolverton (1437355), Mercouri G. Kanatzidis (1350288)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Marine Biology, Cancer, Hematology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Re 6 Se 8, 1.83 ns, Re 6 S 8, iodine gas pressures, rhenium chalcohalide cluster compounds, valence band maxima, eV, work functions, Re 6 S 8 Cl 2 structure type, Semiconducting Cluster Compounds, DFT, alkali metal iodide salt fluxes, Photoluminescent Re 6 Q 8, nm, near-IR photoluminescence, direct-gap semiconductors, Re 6 S 4 Se 4, band gaps, calculation results

Relation: https://figshare.com/articles/dataset/Photoluminescent_Re_sub_6_sub_Q_sub_8_sub_I_sub_2_sub_Q_S_Se_Semiconducting_Cluster_Compounds/14958519

الاتاحة: https://doi.org/10.1021/acs.chemmater.1c01696.s004

المؤلفون: Dipali Nayak, Rajalingam Thangavel

مصطلحات موضوعية: Biophysics, Genetics, Physiology, Biotechnology, Evolutionary Biology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, worldwide energy shortage, valence band maxima, suitable semiconductor photocatalyst, suggests faster migration, stable structure due, solar energy harvesting, oxygen evolution reaction, new research interest, lower recombination rate, hydrogen evolution reaction, excellent carrier mobility, driven hydrogen generation, conduction band minima, 51 × 10, 33 × 10, 3 × 10, attended suitable cbm, 5 , 2 , hs ), conf

Relation: https://doi.org/10.1021/acsaelm.2c01344.s001

الاتاحة: https://doi.org/10.1021/acsaelm.2c01344.s001

المؤلفون: Leo Diehl (1966744), Douglas H. Fabini (1365822), Nella M. Vargas-Barbosa (1275915), Alberto Jiménez-Solano (2073037), Theresa Block (2970732), Viola Duppel (1680721), Igor Moudrakovski (2115196), Kathrin Küster (10579424), Rainer Pöttgen (1635109), Bettina V. Lotsch (1467520)

مصطلحات موضوعية: Biophysics, Biochemistry, Space Science, Chemical Sciences not elsewhere classified, ab initio calculations, pair electron configurations, ab initio band alignments, valence band maxima, ab initio band positions, dispersive valence band, oxide, Valence Band Tuning, valence band width, visible-light H 2 evolution activity, SnTiO 3

Relation: https://figshare.com/articles/journal_contribution/Interplay_between_Valence_Band_Tuning_and_Redox_Stability_in_SnTiO_sub_3_sub_Implications_for_Directed_Design_of_Photocatalysts/14396213

الاتاحة: https://doi.org/10.1021/acs.chemmater.0c04886.s001