

1. Environmental Mineralogy
This research focuses on the structural characteristics, surface/interface properties, and environmental behavior of natural minerals, particularly clay minerals. It aims to systematically investigate the interaction mechanisms between minerals and heavy metals, organic pollutants, and aqueous environmental media. The goal is to develop high-performance mineral-based functional materials for wastewater treatment and environmental remediation, thereby providing theoretical foundations and technological support for environmental management.
2. Solid Waste Resource Utilization
This research addresses key scientific and technological challenges in the high-value utilization of industrial solid wastes and mining by-products. It focuses on understanding the compositional characteristics of solid wastes, activation mechanisms, and resource utilization pathways. Through material design, structural regulation, and performance optimization, this work promotes the efficient use of solid wastes in green construction materials and environmental functional materials.
3. Low-Carbon Multifunctional Building Materials
Targeting the needs of green, low-carbon development and high-performance engineering applications, this research focuses on the design, preparation, and performance regulation of low-carbon and multifunctional building materials. Emphasis is placed on utilizing natural minerals and solid waste resources to develop environmentally friendly construction materials with high performance, long service life, and multifunctional properties, thereby advancing building materials toward low-carbon, high-performance, and multifunctional development.
4. Artificial Intelligence Applications in Materials Development
This research explores the interdisciplinary frontier between materials science and artificial intelligence. Machine learning, data-driven modeling, and intelligent optimization methods are applied to the design of new materials and the prediction of their performance. The work aims to establish correlations among material composition, processing conditions, microstructure, and service performance, improving the efficiency and accuracy of complex material system design and enabling intelligent development of mineral-based and construction materials.
1. Ding, Z., Zhu, R.*, Xie, Q., Long, S., Fu, H., Chen, Q., Xi, Y.* Effects of iron oxide minerals on the pyrolysis of polyvinyl chloride: Catalytic dechlorination, chlorine capture, and carbon sequestration (2024) Journal of Cleaner Production, 483, art. no.144283. DOI: 10.1016/j.jclepro.2024.144283
2. Wang, S., Pancheti, J., Xi, Y.*, Mahendran, M.* Lightweight composite gypsum boards with clay mineral and glass fibre for enhanced fire-resistance (2023) Composites Part B: Engineering, 266, art. no. 111044. DOI: 10.1016/j.compositesb.2023.111044
3. Wang, S., Gainey, L., Mackinnon, I.D.R., Allen, C., Gu, Y., Xi, Y.* Thermal behaviors of clay minerals as key components and additives for fired brick properties: A review (2023) Journal of Building Engineering, 66, art. no. 105802. DOI: 10.1016/j.jobe.2022.105802
4. Wang, S., Gainey, L., D. R. Mackinnon, I., Xi, Y.* High- and low-defect kaolinite for brick making: Comparisons of technological properties, phase evolution and microstructure (2023) Construction and Building Materials, 366, art. no. 130250. DOI: 10.1016/j.conbuildmat.2022.130250
5. Wang, Y., Ran, L., Ma, L., Zhu, R., Wei, J., Liu, H., Xi, Y.*, Zhu, J.*, He, H. Nanoscale chemomechanical variations of montmorillonite induced by the specificity of counterions - An in situ XRD and AFM study (2023) Applied Clay Science, 232, art. no. 106760. DOI: 10.1016/j.clay.2022.106760
6. Liu, Q., Li, M., Wang, S., Lv, S., Han, F., Xi, Y., Cao, Z., Ouyang, J. Ultrathin 3D CoMn nanoflowers coupled diatomite for highly efficient catalytic oxidation of CO and propane (2023) Chemical Engineering Journal, 477, art. no. 147102. DOI: 10.1016/j.cej.2023.147102
7. Deng F., Chen Q., Zhu Y., Liang X., Zhu R., Xi Y. Hydrothermally treated peat/magnetite composites as highly efficient heterogeneous Fenton catalyst: Integrating multiple reaction mechanisms to enhance the catalytic reactivity for BPA removal (2023) Chemical Engineering Journal, 473, art. no. 144946. DOI: 10.1016/j.cej.2023.144946
8. Wang, S., Gainey, L., Marinelli, J., Deer, B., Wang, X., Mackinnon, I.D.R., Xi, Y.* Effects of vermiculite on in-situ thermal behaviour, microstructure, physical and mechanical properties of fired clay bricks (2022) Construction and Building Materials, 316, art. no. 125828. DOI: 10.1016/j.conbuildmat.2021.125828
9. Wang, S., Gainey, L., Wang, X., Mackinnon, I.D.R., Xi, Y.* Influence of palygorskite on in-situ thermal behaviours of clay mixtures and properties of fired bricks (2022) Applied Clay Science, 216, art. no. 106384. DOI: 10.1016/j.clay.2021.106384
10. Wang, S., Gainey, L., Baxter, D., Wang, X., Mackinnon, I.D.R., Xi, Y.* Thermal behaviours of clay mixtures during brick firing: A combined study of in-situ XRD, TGA and thermal dilatometry (2021) Construction and Building Materials, 299, art. no. 124319. DOI: 10.1016/j.conbuildmat.2021.124319
11. Zhu, R., Zhu, Y., Xian, H., Yan, L., Fu, H., Zhu, G., Xi, Y., Zhu, J., He, H. CNTs/ferrihydrite as a highly efficient heterogeneous Fenton catalyst for the degradation of bisphenol A: The important role of CNTs in accelerating Fe(III)/Fe(II) cycling (2020) Applied Catalysis B: Environmental, 270, art. no. 118891. DOI: 10.1016/j.apcatb.2020.118891
12. Zhao, Q., Fu, L., Jiang, D., Ouyang, J., Hu, Y., Yang, H.*, Xi, Y.* Nanoclay-modulated oxygen vacancies of metal oxide (2019) Communications Chemistry, 2 (1), art. no. 11. DOI: 10.1038/s42004-019-0112-9
13. Hou, K., Wang, G., Zhu, Y., Ezzatahmadi, N., Fu, L.*, Tang, A., Yang, H.*, Xi, Y.* Sepiolite/Fe3O4 composite for effective degradation of diuron (2019) Applied Clay Science, 181, art. no. 105243. DOI: 10.1016/j.clay.2019.105243
14. Wen, K., Wei, J., He, H., Zhu, J.*, Xi, Y.* Keggin-Al30: An intercalant for Keggin-Al30 pillared montmorillonite (2019) Applied Clay Science, 180, art. no. 105203. DOI: 10.1016/j.clay.2019.105203
15. Zhu, Y., Zhu, R.*, Xi, Y.*, Zhu, J., Zhu, G., He, H. Strategies for enhancing the heterogeneous fenton catalytic reactivity: A review (2019) Applied Catalysis B: Environmental, 255, art. no. 117739. DOI: 10.1016/j.apcatb.2019.05.041
16. Ezzatahmadi, N., Marshall, D.L., Hou, K., Ayoko, G.A., Millar, G.J., Xi, Y.* Simultaneous adsorption and degradation of 2,4-dichlorophenol on sepiolite-supported bimetallic Fe/Ni nanoparticles (2019) Journal of Environmental Chemical Engineering, 7 (2), art. no. 102955. DOI: 10.1016/j.jece.2019.102955
17. Ezzatahmadi, N., Millar, G.J., Ayoko, G.A., Zhu, J., Zhu, R., Liang, X., He, H., Xi, Y.* Degradation of 2,4-dichlorophenol using palygorskite-supported bimetallic Fe/Ni nanocomposite as a heterogeneous catalyst (2019) Applied Clay Science, 168, pp. 276-286. DOI: 10.1016/j.clay.2018.11.030
18. Wang, G., Xi, Y., Lian, C., Sun, Z., Zheng, S. Simultaneous detoxification of polar aflatoxin B1 and weak polar zearalenone from simulated gastrointestinal tract by zwitterionic montmorillonites (2019) Journal of Hazardous Materials, 364, pp. 227-237. DOI: 10.1016/j.jhazmat.2018.09.071
19. Zhu, Y., Zhu, R.*, Yan, L., Fu, H., Xi, Y.*, Zhou, H., Zhu, G., Zhu, J., He, H. Visible-light Ag/AgBr/ferrihydrite catalyst with enhanced heterogeneous photo-Fenton reactivity via electron transfer from Ag/AgBr to ferrihydrite (2018) Applied Catalysis B: Environmental, 239, pp. 280-289. DOI: 10.1016/j.apcatb.2018.08.025
20. Zhu, Y., Zhu, R., Xi, Y., Xu, T., Yan, L., Zhu, J., Zhu, G., He, H. Heterogeneous photo-Fenton degradation of bisphenol A over Ag/AgCl/ferrihydrite catalysts under visible light (2018) Chemical Engineering Journal, 346, pp. 567-577. DOI: 10.1016/j.cej.2018.04.073
21. Zhu, J.*, Zhang, P., Wang, Y., Wen, K., Su, X., Zhu, R., He, H., Xi, Y.* Effect of acid activation of palygorskite on their toluene adsorption behaviors (2018) Applied Clay Science, 159, pp. 60-67. DOI: 10.1016/j.clay.2017.07.019
22. Alshameri, A., He, H., Zhu, J., Xi, Y., Zhu, R., Ma, L., Tao, Q. Adsorption of ammonium by different natural clay minerals: Characterization, kinetics and adsorption isotherms (2018) Applied Clay Science, 159, pp. 83-93. DOI: 10.1016/j.clay.2017.11.007
23. Wang, G., Wang, S., Sun, Z., Zheng, S.*, Xi, Y.* Structures of nonionic surfactant modified montmorillonites and their enhanced adsorption capacities towards a cationic organic dye (2017) Applied Clay Science, 148, pp. 1-10. DOI: 10.1016/j.clay.2017.08.001
24. Zhu, J.*, Zhang, P., Qing, Y., Wen, K., Su, X., Ma, L., Wei, J., Liu, H., He, H., Xi, Y.* Novel intercalation mechanism of zwitterionic surfactant modified montmorillonites (2017) Applied Clay Science, 141, pp. 265-271. DOI: 10.1016/j.clay.2017.03.002
25. Ezzatahmadi, N., Bao, T., Liu, H., Millar, G.J., Ayoko, G.A., Zhu, J., Zhu, R., Liang, X., He, H., Xi, Y.* Catalytic degradation of Orange II in aqueous solution using diatomite-supported bimetallic Fe/Ni nanoparticles (2018) RSC Advances, 8 (14), pp. 7687-7696. DOI: 10.1039/c7ra13348k
26. Ezzatahmadi, N., Ayoko, G.A., Millar, G.J., Speight, R., Yan, C., Li, J., Li, S., Zhu, J., Xi, Y.* Clay-supported nanoscale zero-valent iron composite materials for the remediation of contaminated aqueous solutions: A review (2017) Chemical Engineering Journal, 312, pp. 336-350. DOI: 10.1016/j.cej.2016.11.154
27. Ma, L., Rathnayake, S.I., He, H.*, Zhu, R., Zhu, J., Ayoko, G.A., Li, J., Xi, Y.* In situ sequentially generation of acid and ferrous ions for environmental remediation (2016) Chemical Engineering Journal, 302, pp. 223-232. DOI: 10.1016/j.cej.2016.05.065
28. Ma, L., Xi, Y.*, He, H.*, Ayoko, G.A., Zhu, R., Zhu, J. Efficiency of Fe-montmorillonite on the removal of Rhodamine B and hexavalent chromium from aqueous solution (2016) Applied Clay Science, 120, pp. 9-15. DOI: 10.1016/j.clay.2015.11.010
29. Ma, L., Chen, Q., Zhu, J., Xi, Y.*, He, H.*, Zhu, R., Tao, Q., Ayoko, G.A. Adsorption of phenol and Cu(II) onto cationic and zwitterionic surfactant modified montmorillonite in single and binary systems (2016) Chemical Engineering Journal, 283, pp. 880-888. DOI: 10.1016/j.cej.2015.08.009
30. Zhu, R., Chen, Q., Zhou, Q., Xi, Y., Zhu, J., He, H. Adsorbents based on montmorillonite for contaminant removal from water: A review (2016) Applied Clay Science, 123, pp. 239-258. DOI: 10.1016/j.clay.2015.12.024
31. Grundgeiger, E., Lim, Y.H., Frost, R.L., Ayoko, G.A., Xi, Y.* Application of organo-beidellites for the adsorption of atrazine (2015) Applied Clay Science, 105-106, pp. 252-258. DOI: 10.1016/j.clay.2015.01.003
32. Laipan, M., Zhu, R., Chen, Q., Zhu, J., Xi, Y., Ayoko, G.A., He, H. From spent Mg/Al layered double hydroxide to porous carbon materials (2015) Journal of Hazardous Materials, 300, pp. 572-580. DOI: 10.1016/j.jhazmat.2015.07.057
33. Xi, Y., Sun, Z., Hreid, T., Ayoko, G.A., Frost, R.L. Bisphenol A degradation enhanced by air bubbles via advanced oxidation using in situ generated ferrous ions from nano zero-valent iron/palygorskite composite materials (2014) Chemical Engineering Journal, 247, pp. 66-74. DOI: 10.1016/j.cej.2014.02.077
34. Chang, D., Chen, T., Liu, H., Xi, Y., Qing, C., Xie, Q., Frost, R.L. A new approach to prepare ZVI and its application in removal of Cr(VI) from aqueous solution (2014) Chemical Engineering Journal, 244, pp. 264-272. DOI: 10.1016/j.cej.2014.01.095
35. Sun, Z., Zheng, S., Ayoko, G.A., Frost, R.L., Xi, Y.* Degradation of simazine from aqueous solutions by diatomite-supported nanosized zero-valent iron composite materials (2013) Journal of Hazardous Materials, 263, pp. 768-777. DOI: 10.1016/j.jhazmat.2013.10.045
36. Sarkar, B., Megharaj, M., Xi, Y., Naidu, R. Surface charge characteristics of organo-palygorskites and adsorption of p-nitrophenol in flow-through reactor system (2012) Chemical Engineering Journal, 185-186, pp. 35-43. DOI: 10.1016/j.cej.2011.05.062
37. Xi, Y., Megharaj, M., Naidu, R. Dispersion of zerovalent iron nanoparticles onto bentonites and use of these catalysts for orange II decolourisation (2011) Applied Clay Science, 53 (4), pp. 716-722. DOI: 10.1016/j.clay.2011.06.010
38. Sarkar, B., Megharaj, M., Xi, Y., Naidu, R. Structural characterisation of Arquad ® 2HT-75 organobentonites: Surface charge characteristics and environmental application (2011) Journal of Hazardous Materials, 195, pp. 155-161. DOI: 10.1016/j.jhazmat.2011.08.016
39. Xi, Y., Mallavarapu, M., Naidu, R. Reduction and adsorption of Pb2+ in aqueous solution by nano-zero-valent iron - A SEM, TEM and XPS study (2010) Materials Research Bulletin, 45 (10), pp. 1361-1367. DOI: 10.1016/j.materresbull.2010.06.046
40. Xi, Y., Mallavarapu, M., Naidu, R. Adsorption of the herbicide 2,4-D on organo-palygorskite (2010) Applied Clay Science, 49 (3), pp. 255-261. DOI: 10.1016/j.clay.2010.05.015
41. Xi, Y., Mallavarapu, M., Naidu, R. Preparation, characterization of surfactants modified clay minerals and nitrate adsorption (2010) Applied Clay Science, 48 (1-2), pp. 92-96. DOI: 10.1016/j.clay.2009.11.047
42. Sarkar, B., Xi, Y., Megharaj, M., Krishnamurti, G.S.R., Rajarathnam, D., Naidu, R. Remediation of hexavalent chromium through adsorption by bentonite based Arquad® 2HT-75 organoclays (2010) Journal of Hazardous Materials, 183 (1-3), pp. 87-97. DOI: 10.1016/j.jhazmat.2010.06.110
43. Sarkar, B., Megharaj, M., Xi, Y., Krishnamurti, G.S.R., Naidu, R. Sorption of quaternary ammonium compounds in soils: Implications to the soil microbial activities (2010) Journal of Hazardous Materials, 184 (1-3), pp. 448-456. DOI: 10.1016/j.jhazmat.2010.08.055
44. Frost, R.L., Xi, Y., He, H. Synthesis, characterization of palygorskite supported zero-valent iron and its application for methylene blue adsorption (2010) Journal of Colloid and Interface Science, 341 (1), pp. 153-161. DOI: 10.1016/j.jcis.2009.09.027
45. Xi, Y., Zhou, Q., Frost, R.L., He, H. Thermal stability of octadecyltrimethylammonium bromide modified montmorillonite organoclay (2007) Journal of Colloid and Interface Science, 311 (2), pp. 347-353. DOI: 10.1016/j.jcis.2007.03.002
46. Xi, Y., Frost, R.L., He, H. Modification of the surfaces of Wyoming montmorillonite by the cationic surfactants alkyl trimethyl, dialkyl dimethyl, and trialkyl methyl ammonium bromides (2007) Journal of Colloid and Interface Science, 305 (1), pp. 150-158. DOI: 10.1016/j.jcis.2006.09.033
47. Xi, Y., Frost, R.L., He, H., Kloprogge, T., Bostrom, T. Modification of Wyoming montmorillonite surfaces using a cationic surfactant (2005) Langmuir, 21 (19), pp. 8675-8680. DOI: 10.1021/la051454i
48. Xi, Y., Martens, W., He, H., Frost, R.L. Thermogravimetric analysis of organoclays intercalated with the surfactant octadecyltrimethylammonium bromide (2005) Journal of Thermal Analysis and Calorimetry, 81 (1), pp. 91-97. DOI: 10.1007/s10973-005-0750-2
49. Xi, Y., Ding, Z., He, H., Frost, R.L. Infrared spectroscopy of organoclays synthesized with the surfactant octadecyltrimethylammonium bromide (2005) Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 61 (3), pp. 515-525. DOI: 10.1016/j.saa.2004.05.001
50. Xi, Y., Ding, Z., He, H., Frost, R.L. Structure of organoclays - An X-ray diffraction and thermogravimetric analysis study (2004) Journal of Colloid and Interface Science, 277 (1), pp. 116-120. DOI: 10.1016/j.jcis.2004.04.053
1. M. Mallavarapu, R. Naidu, Y. Xi, B. Sarkar, AU Patent AU2009326853B2; CA Patent CA2746067C; EU Patent EP2376221B1 (2010).
2. M. Mallavarapu, R. Naidu, Y. Xi, B. Sarkar, US Patent US9199184B2 (2015).
Awards and Honors
1. Marion L. and Chrystie M. Jackson Award, Clay Minerals Society (US) (2026)
2. Inaugural Australian Research Council (ARC) Mid-career Industry Fellowship (2023)
3. Stanford University World’s Top 2% scientists (2020-2025)
4. Advance Queensland Research Fellowship (mid-career), QLD, Australia (2017)
5. Vice Chancellor's Senior Research Fellowship, QUT, Australia (2013)
6. Representative of Australia to the 56th Meeting of Nobel Prize Winners (18th Lindau meeting in Chemistry), Lindau, Germany, 25-30th June 2006, nominated by Australian Academy of Science and approved by Lindau Council
Research Projects
1. ARC Mid-career Industry Fellowship (IM230100132), 2023-2027, $1,060K (plus $2,489K cash and in-kind contributions from Brickworks and QUT), Novel minerals for advanced mix design in low embodied carbon concrete products, Principal Investigator
2. QUT-Brickworks collaborative Project, 2022-2023, $107K, Local industrial minerals for building materials, Principal Investigator
3. Linkage Spark, 2021-2023, $52K, Multiscale characterisation of an expansive soil, Participant Investigator
4. Queensland-Chinese Academy of Sciences (Q-CAS) Collaborative Science Fund (QCAS2020-00011), 2021-2023, $443K, Novel mineral-carbon heterogeneous Fenton catalysts, Principal Investigator
5. Strategic Links Pilot Program (jointly funded by QUT and Brickworks Ltd.), 2019-2020, $53K, Development of new generation boards with high performance characteristics using natural minerals as additives and reinforcements, Principal Investigator
6. Advance Queensland Research Fellowship (AQRF01716-17RD2, Mid-career), 2017-2020, $724K, Value-added building materials using Queensland’s natural mineral resources, Principal Investigator
7. Advance Queensland Innovation Partnerships (AQIP01515-16RD1), 2017-2020, $1,719K, Biomanufacturing advanced animal feed supplements, Participant Investigator
8. QUT-Guangdong Department of Science and Technology collaborative program (2017A050501048), 2017-2019, Chinese Yuan 1000K (approx. $200K), Preparation and application of porous mineral-based VOCs adsorption – catalytic materials, Principal Investigator
9. ARC Discovery (DP15010717), 2015-2018, $306K, Characterisation of mechanical behaviour of TiO2 nanotube thin films, Participant Investigator
10. QUT Vice Chancellor’s Research grant (open to global applicants), 2013-2016, $404K, Remediation of contaminated water by modified clays, Principal Investigator

